General Information of the Compound
| Compound ID |
CP0478751
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| Compound Name |
US9187424, 103
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| Structure |
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| Formula |
C31H29F8N3O3
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| Molecular Weight |
643.575
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(cc2)C#N)C(=O)NC(C2CCC(CC2)OCCCC(F)(F)F)(C(F)(F)F)C1(F)F
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| InChI |
InChI=1S/C31H29F8N3O3/c1-18-3-7-20(8-4-18)25-24(26(43)41-22-11-5-19(17-40)6-12-22)27(44)42-29(30(25,35)36,31(37,38)39)21-9-13-23(14-10-21)45-16-2-15-28(32,33)34/h3-8,11-12,21,23H,2,9-10,13-16H2,1H3,(H,41,43)(H,42,44)
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| InChIKey |
QYLWOLWBVHSEEF-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