General Information of the Compound
| Compound ID |
CP0387063
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| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxy-1-[3-(3-pyridin-3-ylpropanoylamino)propyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C27H32N8O4
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| Molecular Weight |
532.605
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCNC(=O)CCc1cccnc1)C(N)=O
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| InChI |
InChI=1S/C27H32N8O4/c1-4-35-21(13-17(2)33-35)26(38)32-27-31-20-14-19(25(28)37)15-22(39-3)24(20)34(27)12-6-11-30-23(36)9-8-18-7-5-10-29-16-18/h5,7,10,13-16H,4,6,8-9,11-12H2,1-3H3,(H2,28,37)(H,30,36)(H,31,32,38)
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| InChIKey |
GCECYKKCQUNWIU-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