General Information of the Compound
| Compound ID |
CP0951943
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| Compound Name |
2-(((trans)-4-(((3-fluorophenyl)(pyridin-3-yl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C22H25FN2O5
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| Molecular Weight |
416.449
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| Canonical SMILES |
O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2cccnc2)c2cccc(F)c2)CC1
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| InChI |
InChI=1S/C22H25FN2O5/c23-18-3-1-4-19(11-18)25(20-5-2-10-24-12-20)22(28)30-14-17-8-6-16(7-9-17)13-29-15-21(26)27/h1-5,10-12,16-17H,6-9,13-15H2,(H,26,27)/t16-,17-
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| InChIKey |
KFIPADWYPUOKNP-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