General Information of the Compound
| Compound ID |
CP0534956
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| Compound Name |
ethyl 3-[(2R,4S,6S)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-6-phenyloxan-2-yl]-5-methylbenzoate
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| Structure |
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| Formula |
C32H31F2NO6
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| Molecular Weight |
563.597
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| Canonical SMILES |
CCOC(=O)c1cc(C)cc(c1)[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/C32H31F2NO6/c1-3-38-29(36)22-14-19(2)13-21(15-22)27-18-24(17-26(39-27)20-7-5-4-6-8-20)35-30(37)31(11-12-31)23-9-10-25-28(16-23)41-32(33,34)40-25/h4-10,13-16,24,26-27H,3,11-12,17-18H2,1-2H3,(H,35,37)/t24-,26-,27+/m0/s1
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| InChIKey |
GVFWNRTYFOMWGL-DOEKTCAHSA-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