General Information of the Compound
| Compound ID |
CP0918372
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| Compound Name |
5-Cyano-4-[3-(3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3-carboxylic acid methyl ester
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| Formula |
C31H38N6O4
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| Molecular Weight |
558.683
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| Canonical SMILES |
CO/C(O)=C1\C(C)=NC(C)=C(C#N)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1
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| InChI |
InChI=1S/C31H38N6O4/c1-21-25(20-32)29(28(22(2)34-21)30(38)41-4)23-9-7-10-24(19-23)35-31(39)33-13-8-14-36-15-17-37(18-16-36)26-11-5-6-12-27(26)40-3/h5-7,9-12,19,29,38H,8,13-18H2,1-4H3,(H2,33,35,39)/b30-28+
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| InChIKey |
YSQXKOBFHRYYRE-SJCQXOIGSA-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