General Information of the Compound
| Compound ID |
CP0465900
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| Compound Name |
US9446130, 25
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| Structure |
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| Formula |
C27H25F3N10O2
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| Molecular Weight |
578.559
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| Canonical SMILES |
CC(C)Oc1ccnc(NC(=O)c2ccc(cc2)-c2nc(N3CCn4c(C3)nnc4C(F)(F)F)n3ccnc(N)c23)c1
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| InChI |
InChI=1S/C27H25F3N10O2/c1-15(2)42-18-7-8-32-19(13-18)34-24(41)17-5-3-16(4-6-17)21-22-23(31)33-9-10-40(22)26(35-21)38-11-12-39-20(14-38)36-37-25(39)27(28,29)30/h3-10,13,15H,11-12,14H2,1-2H3,(H2,31,33)(H,32,34,41)
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| InChIKey |
PBOGXWOJLHDIPM-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