General Information of the Compound
| Compound ID |
CP0550410
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| Compound Name |
1-(1H-benzimidazol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C26H35N5O2
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| Molecular Weight |
449.599
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2cccc3[nH]cnc23)C2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C26H35N5O2/c1-19(2)17-33-23-9-7-20(8-10-23)15-27-26(32)31(22-11-13-30(3)14-12-22)16-21-5-4-6-24-25(21)29-18-28-24/h4-10,18-19,22H,11-17H2,1-3H3,(H,27,32)(H,28,29)
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| InChIKey |
VBZOWVZLLQKLSD-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