General Information of the Compound
| Compound ID |
CP0960102
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| Compound Name |
2-(((trans)-4-(((5-methylthiophen-2-yl)(phenyl)carbamoyloxy)methyl)cyclohexyl)methoxy)acetic acid
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| Formula |
C22H27NO5S
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| Molecular Weight |
417.527
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| Canonical SMILES |
Cc1ccc(N(C(=O)OC[C@H]2CC[C@H](COCC(=O)O)CC2)c2ccccc2)s1
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| InChI |
InChI=1S/C22H27NO5S/c1-16-7-12-20(29-16)23(19-5-3-2-4-6-19)22(26)28-14-18-10-8-17(9-11-18)13-27-15-21(24)25/h2-7,12,17-18H,8-11,13-15H2,1H3,(H,24,25)/t17-,18-
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| InChIKey |
QVPMQWFOJCPFMV-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