General Information of the Compound
| Compound ID |
CP0875622
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| Compound Name |
4-[3-(3-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-tert-butyl ester 5-methyl ester
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| Formula |
C35H47N5O6
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| Molecular Weight |
633.79
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| Canonical SMILES |
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)(C)C)C1c1cccc(NC(=O)NCCCN2CCN(c3ccccc3OC)CC2)c1
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| InChI |
InChI=1S/C35H47N5O6/c1-23-29(32(41)45-7)31(30(24(2)37-23)33(42)46-35(3,4)5)25-12-10-13-26(22-25)38-34(43)36-16-11-17-39-18-20-40(21-19-39)27-14-8-9-15-28(27)44-6/h8-10,12-15,22,31,41H,11,16-21H2,1-7H3,(H2,36,38,43)/b32-29+
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| InChIKey |
PNVVVECFORQGCG-UUDCSCGESA-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