General Information of the Compound
| Compound ID |
CP0565784
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| Compound Name |
1'-acetyl-N-[(2-chlorophenyl)methyl]-2-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C30H29ClF3N3O4S
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| Molecular Weight |
620.093
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| Canonical SMILES |
CC1N(c2ccc(cc2C11CCN(CC1)C(C)=O)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H29ClF3N3O4S/c1-19-29(13-15-36(16-14-29)20(2)38)25-17-21(28(39)35-18-22-5-3-4-6-26(22)31)7-12-27(25)37(19)42(40,41)24-10-8-23(9-11-24)30(32,33)34/h3-12,17,19H,13-16,18H2,1-2H3,(H,35,39)
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| InChIKey |
JEFMQUGPIHSKAS-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