General Information of the Compound
| Compound ID |
CP0556093
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| Compound Name |
US9062048, 63
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| Formula |
C32H32F3N5O4S
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| Molecular Weight |
639.7
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CN(C(=O)OCc1ccccc1)c1nccc2ccc(cc12)C(F)(F)F)c1cncs1
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| InChI |
InChI=1S/C32H32F3N5O4S/c33-32(34,35)23-7-6-22-10-13-37-29(26(22)14-23)40(30(42)44-19-21-4-2-1-3-5-21)18-28(41)38-24-16-39(17-24)25-8-11-31(43,12-9-25)27-15-36-20-45-27/h1-7,10,13-15,20,24-25,43H,8-9,11-12,16-19H2,(H,38,41)/t25-,31-
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| InChIKey |
DMBIPWGOZFAAKB-ZVXLFCPWSA-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