General Information of the Compound
| Compound ID |
CP0563885
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| Compound Name |
US9062048, 129
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| Structure |
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| Formula |
C30H35F3N6O4
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| Molecular Weight |
600.642
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| Canonical SMILES |
COc1ccc(CNC(=O)C2CCC(CC2)N2CC(C2)NC(=O)CNc2ncnc3ccc(cc23)C(F)(F)F)c(OC)c1
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| InChI |
InChI=1S/C30H35F3N6O4/c1-42-23-9-5-19(26(12-23)43-2)13-35-29(41)18-3-7-22(8-4-18)39-15-21(16-39)38-27(40)14-34-28-24-11-20(30(31,32)33)6-10-25(24)36-17-37-28/h5-6,9-12,17-18,21-22H,3-4,7-8,13-16H2,1-2H3,(H,35,41)(H,38,40)(H,34,36,37)
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| InChIKey |
LWXANGVPWSBMCN-UHFFFAOYSA-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