General Information of the Compound
| Compound ID |
CP0435241
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| Compound Name |
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-pyridin-3-ylurea
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| Structure |
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| Formula |
C19H22N6O
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| Molecular Weight |
350.426
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| Canonical SMILES |
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccnc1
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| InChI |
InChI=1S/C19H22N6O/c1-25-10-8-13(21-19(26)22-14-5-4-9-20-12-14)11-17(25)18-23-15-6-2-3-7-16(15)24-18/h2-7,9,12-13,17H,8,10-11H2,1H3,(H,23,24)(H2,21,22,26)/t13-,17-/m1/s1
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| InChIKey |
QTYYJMBZPFCFLM-CXAGYDPISA-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