General Information of the Compound
| Compound ID |
CP0864451
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| Compound Name |
2-(((trans)-4-(((5-methylthiazol-2-yl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C21H26N2O5S
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| Molecular Weight |
418.515
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| Canonical SMILES |
Cc1cnc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1
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| InChI |
InChI=1S/C21H26N2O5S/c1-15-11-22-20(29-15)23(18-5-3-2-4-6-18)21(26)28-13-17-9-7-16(8-10-17)12-27-14-19(24)25/h2-6,11,16-17H,7-10,12-14H2,1H3,(H,24,25)/t16-,17-
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| InChIKey |
IFHKGRGPUVJPKC-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