General Information of the Compound
| Compound ID |
CP0949635
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| Compound Name |
2-(((trans)-4-((3-(2-fluoro-3-methoxyphenyl)-3-phenylureido)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C24H29FN2O5
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| Molecular Weight |
444.503
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| Canonical SMILES |
COc1cccc(N(C(=O)NC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)c1F
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| InChI |
InChI=1S/C24H29FN2O5/c1-31-21-9-5-8-20(23(21)25)27(19-6-3-2-4-7-19)24(30)26-14-17-10-12-18(13-11-17)15-32-16-22(28)29/h2-9,17-18H,10-16H2,1H3,(H,26,30)(H,28,29)/t17-,18-
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| InChIKey |
VRIPEANZOCQMDF-IYARVYRRSA-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