General Information of the Compound
| Compound ID |
CP0941922
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| Compound Name |
2-(((trans)-4-(((3-chlorophenyl)(4-fluorophenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C23H25ClFNO5
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| Molecular Weight |
449.906
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C23H25ClFNO5/c24-18-2-1-3-21(12-18)26(20-10-8-19(25)9-11-20)23(29)31-14-17-6-4-16(5-7-17)13-30-15-22(27)28/h1-3,8-12,16-17H,4-7,13-15H2,(H,27,28)/t16-,17-
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| InChIKey |
RLGMKALPMCEYMH-QAQDUYKDSA-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