General Information of the Compound
| Compound ID |
CP0579526
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| Compound Name |
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-[3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propoxy]-1-methylbenzimidazole-5-carboxamide
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| Structure |
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| Formula |
C26H33N9O4
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| Molecular Weight |
535.609
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)NCCCOc1cc(cc2nc(NC(=O)c3cc(C)nn3CC)n(C)c12)C(N)=O
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| InChI |
InChI=1S/C26H33N9O4/c1-6-34-19(11-15(3)31-34)24(37)28-9-8-10-39-21-14-17(23(27)36)13-18-22(21)33(5)26(29-18)30-25(38)20-12-16(4)32-35(20)7-2/h11-14H,6-10H2,1-5H3,(H2,27,36)(H,28,37)(H,29,30,38)
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| InChIKey |
SZRWWBFZIKGCGY-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