General Information of the Compound
| Compound ID |
CP0522498
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| Compound Name |
1-(2,6-diisopropylphenyl)-3-((4-(3-methoxyphenyl)-1-methylpiperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C27H39N3O2
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| Molecular Weight |
437.628
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| Canonical SMILES |
COc1cccc(c1)C1(CNC(=O)Nc2c(cccc2C(C)C)C(C)C)CCN(C)CC1
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| InChI |
InChI=1S/C27H39N3O2/c1-19(2)23-11-8-12-24(20(3)4)25(23)29-26(31)28-18-27(13-15-30(5)16-14-27)21-9-7-10-22(17-21)32-6/h7-12,17,19-20H,13-16,18H2,1-6H3,(H2,28,29,31)
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| InChIKey |
XKFNBMQIZDHRGF-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