General Information of the Compound
| Compound ID |
CP0570123
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| Compound Name |
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C25H31N9O3
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| Molecular Weight |
505.583
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(ccc2n1CCCCNC(=O)c1cc(C)nn1C)C(N)=O
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| InChI |
InChI=1S/C25H31N9O3/c1-5-34-21(13-16(3)31-34)24(37)29-25-28-18-14-17(22(26)35)8-9-19(18)33(25)11-7-6-10-27-23(36)20-12-15(2)30-32(20)4/h8-9,12-14H,5-7,10-11H2,1-4H3,(H2,26,35)(H,27,36)(H,28,29,37)
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| InChIKey |
NCQQZSKFKNBNOL-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