General Information of the Compound
| Compound ID |
CP0879944
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| Compound Name |
4-[3-(3-{3-[4-(3-Hydroxy-phenyl)-piperidin-1-yl]-propyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
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| Formula |
C32H40N4O6
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| Molecular Weight |
576.694
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| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(O)c3)CC2)c1
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| InChI |
InChI=1S/C32H40N4O6/c1-20-27(30(38)41-3)29(28(21(2)34-20)31(39)42-4)24-9-5-10-25(18-24)35-32(40)33-14-7-15-36-16-12-22(13-17-36)23-8-6-11-26(37)19-23/h5-6,8-11,18-19,22,29,37-38H,7,12-17H2,1-4H3,(H2,33,35,40)/b30-27+
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| InChIKey |
GRXSDRJYYRPFLB-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