General Information of the Compound
| Compound ID |
CP0921085
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| Compound Name |
2-(((trans)-4-((3-benzhydrylureido)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C24H30N2O4
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| Molecular Weight |
410.514
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](CNC(=O)NC(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C24H30N2O4/c27-22(28)17-30-16-19-13-11-18(12-14-19)15-25-24(29)26-23(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,18-19,23H,11-17H2,(H,27,28)(H2,25,26,29)/t18-,19-
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| InChIKey |
XOVSMYQHSGFUMW-WGSAOQKQSA-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