General Information of the Compound
| Compound ID |
CP0236140
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| Compound Name |
2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
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| Synonyms |
1H-Indole-1-acetic acid, 4-(acetylamino)-3-((4-chlorophenyl)thio)-2-methyl-
1H-Indole-1-acetic acid, 4-(acetylamino)-3-[(4-chlorophenyl)thio]-2-methyl-
2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid
2AD53WQ2CX
802904-66-1
AKOS027263775
AZD 1981
AZD-1981
AZD1981
BCP20957
BDBM50357102
CHEMBL1914489
CS-4189
DB11946
EX-A662
GTPL7680
HMS3653A06
HY-15950
JWYIGNODXSRKGP-UHFFFAOYSA-N
MolPort-035-395-811
NCGC00386290-04
SB16902
SC-94603
SCHEMBL1053662
UNII-2AD53WQ2CX
ZINC73196066
s7263
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| Structure |
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| Formula |
C19H17ClN2O3S
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| Molecular Weight |
388.876
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| Canonical SMILES |
CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)
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| InChIKey |
JWYIGNODXSRKGP-UHFFFAOYSA-N
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| CAS |
802904-66-1
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Clinical Information about the Compound