General Information of the Compound
| Compound ID |
CP0476182
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| Compound Name |
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
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| Structure |
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| Formula |
C21H22N6O2
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| Molecular Weight |
390.447
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| Canonical SMILES |
Cn1cc(cn1)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1CC(C)(C)O
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| InChI |
InChI=1S/C21H22N6O2/c1-21(2,29)13-27-18-7-5-4-6-16(18)24-20(27)25-19(28)14-8-9-22-17(10-14)15-11-23-26(3)12-15/h4-12,29H,13H2,1-3H3,(H,24,25,28)
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| InChIKey |
RBNXRNXSQJWDFU-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