General Information of the Compound
| Compound ID |
CP0963122
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| Compound Name |
2-(2-(((trans)-4-(((4-chlorophenyl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetamido)acetic acid
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| Formula |
C25H29ClN2O6
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| Molecular Weight |
488.968
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| Canonical SMILES |
O=C(O)CNC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C25H29ClN2O6/c26-20-10-12-22(13-11-20)28(21-4-2-1-3-5-21)25(32)34-16-19-8-6-18(7-9-19)15-33-17-23(29)27-14-24(30)31/h1-5,10-13,18-19H,6-9,14-17H2,(H,27,29)(H,30,31)/t18-,19-
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| InChIKey |
LPELAFLWIGWDFH-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