General Information of the Compound
| Compound ID |
CP0935749
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| Compound Name |
4-[3-(3-{3-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-propyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
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| Formula |
C32H39Cl2N5O5
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| Molecular Weight |
644.6
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1
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| InChI |
InChI=1S/C32H39Cl2N5O5/c1-5-44-31(41)28-21(3)36-20(2)27(30(40)43-4)29(28)22-8-6-9-23(18-22)37-32(42)35-12-7-13-38-14-16-39(17-15-38)24-10-11-25(33)26(34)19-24/h6,8-11,18-19,29,41H,5,7,12-17H2,1-4H3,(H2,35,37,42)/b31-28+
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| InChIKey |
BCRJYBZKKYLRPH-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