General Information of the Compound
| Compound ID |
CP0523852
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| Compound Name |
N-[2-[1-[(2S)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methoxy]propanoyl]piperidin-4-yl]phenyl]methanesulfonamide
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| Structure |
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| Formula |
C29H33Cl2N3O4S
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| Molecular Weight |
590.573
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| Canonical SMILES |
CS(=O)(=O)Nc1ccccc1C1CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1
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| InChI |
InChI=1S/C29H33Cl2N3O4S/c1-39(36,37)33-27-10-6-5-9-24(27)23-13-15-34(16-14-23)29(35)28(32-18-21-7-3-2-4-8-21)20-38-19-22-11-12-25(30)26(31)17-22/h2-12,17,23,28,32-33H,13-16,18-20H2,1H3/t28-/m0/s1
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| InChIKey |
OBCMJQIOJSEAIS-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