General Information of the Compound
| Compound ID |
CP0516040
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| Compound Name |
[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridin-2-yl]-[4-(4-methoxyanilino)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C31H39N5O2
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| Molecular Weight |
513.686
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| Canonical SMILES |
COc1ccc(NC2CCN(CC2)C(=O)c2ncccc2-c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)cc1
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| InChI |
InChI=1S/C31H39N5O2/c1-22-19-35(20-23(2)33-22)21-24-6-8-25(9-7-24)29-5-4-16-32-30(29)31(37)36-17-14-27(15-18-36)34-26-10-12-28(38-3)13-11-26/h4-13,16,22-23,27,33-34H,14-15,17-21H2,1-3H3/t22-,23+
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| InChIKey |
QUZMHKMZOAKUDI-ZRZAMGCNSA-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