General Information of the Compound
| Compound ID |
CP0556179
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| Compound Name |
US9303015, 33
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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 |
Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCCC3)c(Oc3ccc(cc3)C#N)c(Cl)c2c1
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| InChI |
InChI=1S/C31H24ClF3N6O2/c1-40-18-37-17-26(40)30(42,21-7-11-25(38-16-21)31(33,34)35)20-6-10-24-23(14-20)27(32)28(29(39-24)41-12-2-3-13-41)43-22-8-4-19(15-36)5-9-22/h4-11,14,16-18,42H,2-3,12-13H2,1H3
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| InChIKey |
XTJBVBCWFGLULK-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