General Information of the Compound
| Compound ID |
CP0288934
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C36H41ClN6O2
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| Molecular Weight |
625.217
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| Canonical SMILES |
CC(NC1CCCNC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C36H41ClN6O2/c1-25(40-30-8-6-16-38-24-30)31-9-3-5-11-34(31)42-17-19-43(20-18-42)36(45)33(21-26-12-14-29(37)15-13-26)41-35(44)28-22-27-7-2-4-10-32(27)39-23-28/h2-5,7,9-15,22-23,25,30,33,38,40H,6,8,16-21,24H2,1H3,(H,41,44)/t25?,30?,33-/m1/s1
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| InChIKey |
NHZYDUWLLZYUEJ-ZVHXTAQDSA-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