General Information of the Compound
| Compound ID |
CP0441784
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| Compound Name |
2-benzylamino-5-(3,4-dichlorophenyl)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-1-pentanone
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| Structure |
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| Formula |
C31H35Cl2N3O3S
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| Molecular Weight |
600.612
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(CCCc2ccc(Cl)c(Cl)c2)NCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C31H35Cl2N3O3S/c1-40(38,39)36-22-31(25-11-5-6-13-29(25)36)16-18-35(19-17-31)30(37)28(34-21-24-8-3-2-4-9-24)12-7-10-23-14-15-26(32)27(33)20-23/h2-6,8-9,11,13-15,20,28,34H,7,10,12,16-19,21-22H2,1H3
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| InChIKey |
GPOHXSRIYHKDDY-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