General Information of the Compound
| Compound ID |
CP0878667
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| Compound Name |
4-[3-(3-{3-[4-(4-Methoxy-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 |
C33H43N5O6
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| Molecular Weight |
605.736
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| Canonical SMILES |
CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)C1c1cccc(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c1
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| InChI |
InChI=1S/C33H43N5O6/c1-6-44-32(40)29-23(3)35-22(2)28(31(39)43-5)30(29)24-9-7-10-25(21-24)36-33(41)34-15-8-16-37-17-19-38(20-18-37)26-11-13-27(42-4)14-12-26/h7,9-14,21,30,40H,6,8,15-20H2,1-5H3,(H2,34,36,41)/b32-29+
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| InChIKey |
YCCITMOQBVGYFE-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