General Information of the Compound
| Compound ID |
CP0532999
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| Compound Name |
1-(benzenesulfonyl)-N-[(2-chlorophenyl)methyl]-2,3,3-trimethyl-2H-indole-5-carboxamide
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| Formula |
C25H25ClN2O3S
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| Molecular Weight |
469.006
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| Canonical SMILES |
CC1N(c2ccc(cc2C1(C)C)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H25ClN2O3S/c1-17-25(2,3)21-15-18(24(29)27-16-19-9-7-8-12-22(19)26)13-14-23(21)28(17)32(30,31)20-10-5-4-6-11-20/h4-15,17H,16H2,1-3H3,(H,27,29)
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| InChIKey |
LFTWTAHUDUFFGU-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
Protein ID: PT01836, Gonadotropin-releasing hormone receptor
Protein ID: PT01997, Gonadotropin-releasing hormone receptor