General Information of the Compound
| Compound ID |
CP0501731
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| Compound Name |
3-(4-chlorobenzyloxy)-2-(3,4-dichlorobenzylamino)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-(2S)-propan-1-one
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| Structure |
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| Formula |
C30H32Cl3N3O4S
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| Molecular Weight |
637.029
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccc(Cl)cc2)NCc2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C30H32Cl3N3O4S/c1-41(38,39)36-20-30(24-4-2-3-5-28(24)36)12-14-35(15-13-30)29(37)27(19-40-18-21-6-9-23(31)10-7-21)34-17-22-8-11-25(32)26(33)16-22/h2-11,16,27,34H,12-15,17-20H2,1H3/t27-/m0/s1
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| InChIKey |
WERILZBFRFDDLU-MHZLTWQESA-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