General Information of the Compound
| Compound ID |
CP0914925
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| Compound Name |
4-[3-(3-{2-[1-(2-Cyano-phenyl)-piperidin-4-ylamino]-ethyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
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| Formula |
C32H38N6O5
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| Molecular Weight |
586.693
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3C#N)CC2)c1
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| InChI |
InChI=1S/C32H38N6O5/c1-20-27(30(39)42-3)29(28(21(2)36-20)31(40)43-4)22-9-7-10-25(18-22)37-32(41)35-15-14-34-24-12-16-38(17-13-24)26-11-6-5-8-23(26)19-33/h5-11,18,24,29,34,39H,12-17H2,1-4H3,(H2,35,37,41)/b30-27+
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| InChIKey |
QJSPFARMIJPOHV-KDJFERLWSA-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