General Information of the Compound
| Compound ID |
CP0526934
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| Compound Name |
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(3-cyanophenyl)urea
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| Structure |
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| Formula |
C21H22N6O
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| Molecular Weight |
374.448
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| Canonical SMILES |
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C21H22N6O/c1-27-10-9-16(24-21(28)23-15-6-4-5-14(11-15)13-22)12-19(27)20-25-17-7-2-3-8-18(17)26-20/h2-8,11,16,19H,9-10,12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
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| InChIKey |
KQGCUNKVTNXVJV-VQIMIIECSA-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