General Information of the Compound
| Compound ID |
CP0424291
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| Compound Name |
1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-phenylurea
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
CN1CC[C@H](C[C@@H]1c1nc2ccccc2[nH]1)NC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C20H23N5O/c1-25-12-11-15(22-20(26)21-14-7-3-2-4-8-14)13-18(25)19-23-16-9-5-6-10-17(16)24-19/h2-10,15,18H,11-13H2,1H3,(H,23,24)(H2,21,22,26)/t15-,18-/m1/s1
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| InChIKey |
ZEZBTZJDUZIGPQ-CRAIPNDOSA-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