General Information of the Compound
| Compound ID |
CP0449309
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| Compound Name |
(S)-2-Benzylamino-3-(3,4-dichloro-benzyloxy)-1-[4-(2-methoxy-phenyl)-piperidin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C29H32Cl2N2O3
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| Molecular Weight |
527.492
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| Canonical SMILES |
COc1ccccc1C1CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1
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| InChI |
InChI=1S/C29H32Cl2N2O3/c1-35-28-10-6-5-9-24(28)23-13-15-33(16-14-23)29(34)27(32-18-21-7-3-2-4-8-21)20-36-19-22-11-12-25(30)26(31)17-22/h2-12,17,23,27,32H,13-16,18-20H2,1H3/t27-/m0/s1
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| InChIKey |
XITFJVUYVFILBW-MHZLTWQESA-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