General Information of the Compound
| Compound ID |
CP0484800
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| Compound Name |
US9216968, 155
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| Structure |
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| Formula |
C31H34ClF3N6O2
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| Molecular Weight |
615.1
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| Canonical SMILES |
CC(C)N(CCNc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C)C(C)C
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| InChI |
InChI=1S/C31H34ClF3N6O2/c1-17(2)41(18(3)4)14-13-36-30-39-26-16-20(37-28(42)21-9-6-7-10-23(21)31(33,34)35)15-22(27(26)40-30)29(43)38-25-12-8-11-24(32)19(25)5/h6-12,15-18H,13-14H2,1-5H3,(H,37,42)(H,38,43)(H2,36,39,40)
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| InChIKey |
VQDOJRYXEVYIPE-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