General Information of the Compound
| Compound ID |
CP0097925
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| Compound Name |
US9290476, 35A
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| Structure |
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| Formula |
C31H24ClF3N6O2
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| Molecular Weight |
605.02
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
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| InChIKey |
LZOGZAYEBDXEJA-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