General Information of the Compound
| Compound ID |
CP0406293
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| Compound Name |
3-benzyloxy-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 |
C30H34FN3O4S
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| Molecular Weight |
551.684
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)C(COCc2ccccc2)NCc2cccc(F)c2)c2ccccc12
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| InChI |
InChI=1S/C30H34FN3O4S/c1-39(36,37)34-22-30(26-12-5-6-13-28(26)34)14-16-33(17-15-30)29(35)27(21-38-20-23-8-3-2-4-9-23)32-19-24-10-7-11-25(31)18-24/h2-13,18,27,32H,14-17,19-22H2,1H3
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| InChIKey |
KMSKXJPLTGSPJJ-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