General Information of the Compound
| Compound ID |
CP0578316
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| Compound Name |
1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]-1-(1H-pyrazol-4-ylmethyl)urea
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| Structure |
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| Formula |
C22H33N5O2
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| Molecular Weight |
399.539
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2cn[nH]c2)C2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C22H33N5O2/c1-17(2)16-29-21-6-4-18(5-7-21)12-23-22(28)27(15-19-13-24-25-14-19)20-8-10-26(3)11-9-20/h4-7,13-14,17,20H,8-12,15-16H2,1-3H3,(H,23,28)(H,24,25)
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| InChIKey |
GOATZVAJOQYDNX-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