General Information of the Compound
| Compound ID |
CP0406117
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| Compound Name |
2-benzylamino-4-(3,4-dichlorophenyl)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-1-butanone
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| Structure |
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| Formula |
C30H33Cl2N3O3S
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| Molecular Weight |
586.585
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(CCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C30H33Cl2N3O3S/c1-39(37,38)35-21-30(24-9-5-6-10-28(24)35)15-17-34(18-16-30)29(36)27(33-20-23-7-3-2-4-8-23)14-12-22-11-13-25(31)26(32)19-22/h2-11,13,19,27,33H,12,14-18,20-21H2,1H3
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| InChIKey |
YEOXHNNQFZRYKV-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