General Information of the Compound
| Compound ID |
CP0432759
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| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-[3-[3-(3,4,5-trimethoxyphenyl)propanoylamino]propyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C31H39N7O7
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| Molecular Weight |
621.695
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCc1cc(OC)c(OC)c(OC)c1)C(N)=O
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| InChI |
InChI=1S/C31H39N7O7/c1-7-38-22(13-18(2)36-38)30(41)35-31-34-21-16-20(29(32)40)17-23(42-3)27(21)37(31)12-8-11-33-26(39)10-9-19-14-24(43-4)28(45-6)25(15-19)44-5/h13-17H,7-12H2,1-6H3,(H2,32,40)(H,33,39)(H,34,35,41)
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| InChIKey |
IDPCPGDJSRFVGM-UHFFFAOYSA-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