General Information of the Compound
| Compound ID |
CP0878780
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| Compound Name |
4-[3-(3-{3-[4-(4-Chloro-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 |
C32H40ClN5O5
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| Molecular Weight |
610.155
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(Cl)cc3)CC2)c1
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| InChI |
InChI=1S/C32H40ClN5O5/c1-5-43-31(40)28-22(3)35-21(2)27(30(39)42-4)29(28)23-8-6-9-25(20-23)36-32(41)34-14-7-15-37-16-18-38(19-17-37)26-12-10-24(33)11-13-26/h6,8-13,20,29,40H,5,7,14-19H2,1-4H3,(H2,34,36,41)/b31-28+
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| InChIKey |
KPMCWTJACSWVKC-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