General Information of the Compound
| Compound ID |
CP0251769
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| Compound Name |
US9242977, 57
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| Structure |
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| Formula |
C31H24F3N7O3S
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| Molecular Weight |
631.64
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| Canonical SMILES |
Cc1cccc(c1)-c1ncc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(F)(F)F
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| InChI |
InChI=1S/C31H24F3N7O3S/c1-18-4-2-5-20(12-18)27-24(13-21(14-35-27)31(32,33)34)40-28(43)39-22-15-36-29(37-16-22)44-23-9-7-19(8-10-23)25-17-38-30(45-25)41-11-3-6-26(41)42/h2,4-5,7-10,12-17H,3,6,11H2,1H3,(H2,39,40,43)
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| InChIKey |
XFQYWGVSXWXRFN-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