General Information of the Compound
| Compound ID |
CP0434821
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| Compound Name |
1-(3-aminopropyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C19H25N7O3
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| Molecular Weight |
399.455
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1CCCN)C(N)=O
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| InChI |
InChI=1S/C19H25N7O3/c1-4-26-14(8-11(2)24-26)18(28)23-19-22-13-9-12(17(21)27)10-15(29-3)16(13)25(19)7-5-6-20/h8-10H,4-7,20H2,1-3H3,(H2,21,27)(H,22,23,28)
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| InChIKey |
VKHQXSDJOQCSDH-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