General Information of the Compound
| Compound ID |
CP0941822
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| Compound Name |
2-(((trans)-4-(3-benzhydryl-3-methylureido)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
CN(C(=O)NC[C@H]1CC[C@H](COCC(=O)O)CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C25H32N2O4/c1-27(24(21-8-4-2-5-9-21)22-10-6-3-7-11-22)25(30)26-16-19-12-14-20(15-13-19)17-31-18-23(28)29/h2-11,19-20,24H,12-18H2,1H3,(H,26,30)(H,28,29)/t19-,20-
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| InChIKey |
VOFVAIBNTPCAMB-MXVIHJGJSA-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