General Information of the Compound
| Compound ID |
CP0409437
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| Compound Name |
N-[[1-[(2S)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methoxy]propanoyl]-4-phenylpiperidin-4-yl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C30H35Cl2N3O4S
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| Molecular Weight |
604.6
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| Canonical SMILES |
CS(=O)(=O)NCC1(CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H35Cl2N3O4S/c1-40(37,38)34-22-30(25-10-6-3-7-11-25)14-16-35(17-15-30)29(36)28(33-19-23-8-4-2-5-9-23)21-39-20-24-12-13-26(31)27(32)18-24/h2-13,18,28,33-34H,14-17,19-22H2,1H3/t28-/m0/s1
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| InChIKey |
CDDNZYHWARLMKA-NDEPHWFRSA-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