General Information of the Compound
| Compound ID |
CP0372389
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| Compound Name |
N-[2-[1-[(2S)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methoxy]propanoyl]piperidin-4-yl]phenyl]-N-methylmethanesulfonamide
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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 |
CN(c1ccccc1C1CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C30H35Cl2N3O4S/c1-34(40(2,37)38)29-11-7-6-10-25(29)24-14-16-35(17-15-24)30(36)28(33-19-22-8-4-3-5-9-22)21-39-20-23-12-13-26(31)27(32)18-23/h3-13,18,24,28,33H,14-17,19-21H2,1-2H3/t28-/m0/s1
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| InChIKey |
ZGOIUIRYGONMSH-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