General Information of the Compound
| Compound ID |
CP0563788
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| Compound Name |
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-[3-(phenylmethoxycarbonylamino)propyl]benzimidazole-5-carboxylate
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| Structure |
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| Formula |
C28H32N6O6
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| Molecular Weight |
548.6
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)OCc1ccccc1)C(=O)OC
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| InChI |
InChI=1S/C28H32N6O6/c1-5-34-22(14-18(2)32-34)25(35)31-27-30-21-15-20(26(36)39-4)16-23(38-3)24(21)33(27)13-9-12-29-28(37)40-17-19-10-7-6-8-11-19/h6-8,10-11,14-16H,5,9,12-13,17H2,1-4H3,(H,29,37)(H,30,31,35)
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| InChIKey |
MNDNHDWHKPYOET-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