General Information of the Compound
| Compound ID |
CP0482525
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| Compound Name |
4-[(2R,4S,6S)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-6-phenyloxan-2-yl]benzoic acid
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| Structure |
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| Formula |
C29H25F2NO6
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| Molecular Weight |
521.516
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| Canonical SMILES |
OC(=O)c1ccc(cc1)[C@H]1C[C@H](C[C@H](O1)c1ccccc1)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1
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| InChI |
InChI=1S/C29H25F2NO6/c30-29(31)37-22-11-10-20(14-25(22)38-29)28(12-13-28)27(35)32-21-15-23(17-4-2-1-3-5-17)36-24(16-21)18-6-8-19(9-7-18)26(33)34/h1-11,14,21,23-24H,12-13,15-16H2,(H,32,35)(H,33,34)/t21-,23-,24+/m0/s1
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| InChIKey |
IWZSLCAIFMJGGT-OEMFJLHTSA-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