General Information of the Compound
| Compound ID |
CP0434451
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| Compound Name |
N-[2-[[(1R,2S)-2-(4-phenylpiperazin-1-yl)cyclohexyl]carbamoyl]phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C33H35N5O2
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| Molecular Weight |
533.676
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| Canonical SMILES |
O=C(N[C@@H]1CCCC[C@@H]1N1CCN(CC1)c1ccccc1)c1ccccc1NC(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C33H35N5O2/c39-32(25-22-24-10-4-6-14-28(24)34-23-25)35-29-15-7-5-13-27(29)33(40)36-30-16-8-9-17-31(30)38-20-18-37(19-21-38)26-11-2-1-3-12-26/h1-7,10-15,22-23,30-31H,8-9,16-21H2,(H,35,39)(H,36,40)/t30-,31+/m1/s1
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| InChIKey |
DQPPGZMDGPIXRQ-JSOSNVBQSA-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