General Information of the Compound
| Compound ID |
CP0886421
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| Compound Name |
4-(2,2-Diphenyl-vinyl)-2-methyl-6-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
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| Formula |
C32H31NO4
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| Molecular Weight |
493.603
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| Canonical SMILES |
CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)C1C=C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H31NO4/c1-4-36-31(34)28-22(3)33-30(25-19-13-8-14-20-25)29(32(35)37-5-2)27(28)21-26(23-15-9-6-10-16-23)24-17-11-7-12-18-24/h6-21,27,34H,4-5H2,1-3H3/b31-28+
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| InChIKey |
ITJGAWPNXLMVFX-CCFHIKDMSA-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