General Information of the Compound
| Compound ID |
CP0324027
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| Compound Name |
3-(6-chloro-1-cyclopentyl-2-methylindol-3-yl)sulfanylbenzoic acid
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| Structure |
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| Formula |
C21H20ClNO2S
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| Molecular Weight |
385.916
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| Canonical SMILES |
Cc1c(Sc2cccc(c2)C(O)=O)c2ccc(Cl)cc2n1C1CCCC1
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| InChI |
InChI=1S/C21H20ClNO2S/c1-13-20(26-17-8-4-5-14(11-17)21(24)25)18-10-9-15(22)12-19(18)23(13)16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,24,25)
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| InChIKey |
FOKPRIYHCLABTN-UHFFFAOYSA-N
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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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound