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d8 (cl902198)
InChIKey:
GRPSLACDWOFBGV-UHFFFAOYSA-N
Compound CID:
14297893
Molecular Formula:
C
14
H
4
N
2
O
2
S
dabigatran metabolite m324 (bibr1151)
InChIKey:
PLWQWQUVUDJPFA-UHFFFAOYSA-N
Compound CID:
69624070
Molecular Formula:
C
17
H
17
N
5
O
2
darunavir metabolite 19, r374699
InChIKey:
NUMJNKDUHFCFJO-VQTJNVASSA-N
Compound CID:
9888792
Molecular Formula:
C
20
H
29
N
3
O
3
S
darunavir metabolite 33, r330689
InChIKey:
SNQVQNQWAPHMDK-HEXNFIEUSA-N
Compound CID:
16729878
Molecular Formula:
C
27
H
37
N
3
O
8
S
delta-3,4,5,6-tetrachlorocyclohexene
InChIKey:
CHTOKGBXCBVHQO-UHFFFAOYSA-N
Compound CID:
15691
Molecular Formula:
C
6
H
6
Cl
4
Di(demethyl)-di(hydroxymethyl)dpa-714
InChIKey:
LHPXGUQPDQIIDB-UHFFFAOYSA-N
Compound CID:
118753119
Molecular Formula:
C
22
H
27
FN
4
O
4
ethofumesate-2-hydroxy (nc 8493)
InChIKey:
KNHJTPLSWOEZHZ-UHFFFAOYSA-N
Compound CID:
536079
Molecular Formula:
C
11
H
14
O
5
S
hwg 1608-desbutyl (m15)
InChIKey:
IVSJGQBRDCCMIM-UHFFFAOYSA-N
Compound CID:
139595492
Molecular Formula:
C
12
H
14
ClN
3
O
hwg 1608-ketodesbutyl (m16)
InChIKey:
ISNFABYLLXYESP-UHFFFAOYSA-N
Compound CID:
139595461
Molecular Formula:
C
12
H
12
ClN
3
O
hwg 1608-lactone (m17)
InChIKey:
DVLMVKDOFMLUEE-UHFFFAOYSA-N
Compound CID:
102332589
Molecular Formula:
C
11
H
17
N
3
O
2
ibrutinib metabolite pci-7503 (m23)
InChIKey:
GPSQYTDPBDNDGI-MRXNPFEDSA-N
Compound CID:
58223272
Molecular Formula:
C
22
H
22
N
6
O
jnj-10198409
InChIKey:
ZDNURMVOKAERHZ-UHFFFAOYSA-N
Compound CID:
9797370
Molecular Formula:
C
18
H
16
FN
3
O
2
m38 (hec 5725-amide)
InChIKey:
DPNOYUYIQDKVTL-XYGWBWBKSA-N
Compound CID:
139033185
Molecular Formula:
C
19
H
14
ClFN
4
O
4
metabolite 1 (rpa 404766)
InChIKey:
ICRKDZGIACRTIL-OFZZUYHDSA-N
Compound CID:
139595726
Molecular Formula:
C
17
H
20
ClN
3
O
2
metabolite 3 (rpa 406341)
InChIKey:
ICRKDZGIACRTIL-WFIKUFSXSA-N
Compound CID:
139595374
Molecular Formula:
C
17
H
20
ClN
3
O
2
n,n'-diacetyl-3,3'-dimethylbenzidine
InChIKey:
YYWOGMJTPSCQAN-UHFFFAOYSA-N
Compound CID:
626583
Molecular Formula:
C
18
H
20
N
2
O
2
n-(3,3-dimethylbutyl)-l-aspartic acid
InChIKey:
SOEVTYGIGRHGQE-ZETCQYMHSA-N
Compound CID:
9815811
Molecular Formula:
C
10
H
19
NO
4
n-(ethoxymethyl)-2-ethyl-6-methylaniline
InChIKey:
SQWPFHMYQCSKPP-UHFFFAOYSA-N
Compound CID:
89188136
Molecular Formula:
C
12
H
19
NO
n-allyl-4,5-dimethylthiophene-3-carboxa…
InChIKey:
DGCYKBAFUIYUEX-UHFFFAOYSA-N
Compound CID:
84557985
Molecular Formula:
C
10
H
13
NOS
n-cyclopropylmethoxy-2,3-difluoro-6-tri…
InChIKey:
GATGRGDKTXQMNK-UHFFFAOYSA-N
Compound CID:
11130163
Molecular Formula:
C
12
H
11
F
5
N
2
O
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