General Information of the Compound
| Compound ID |
CP0534973
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| Compound Name |
3-[(2R,4S)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]oxan-2-yl]benzoic acid
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| Structure |
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| Formula |
C23H21F2NO6
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| Molecular Weight |
445.418
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| Canonical SMILES |
OC(=O)c1cccc(c1)[C@H]1C[C@H](CCO1)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1
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| InChI |
InChI=1S/C23H21F2NO6/c24-23(25)31-17-5-4-15(11-19(17)32-23)22(7-8-22)21(29)26-16-6-9-30-18(12-16)13-2-1-3-14(10-13)20(27)28/h1-5,10-11,16,18H,6-9,12H2,(H,26,29)(H,27,28)/t16-,18+/m0/s1
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| InChIKey |
ADNXFCXKAMMQNI-FUHWJXTLSA-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