General Information of the Compound
| Compound ID |
CP0419199
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| Compound Name |
US9481682, 185
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| Structure |
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| Formula |
C27H27F3N8O2
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| Molecular Weight |
552.561
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| Canonical SMILES |
CCn1nc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3ccnc(N)c23)cc1C(F)(F)F
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| InChI |
InChI=1S/C27H27F3N8O2/c1-2-38-19(27(28,29)30)13-20(35-38)33-26(40)16-5-3-15(4-6-16)22-23-24(31)32-11-12-36(23)25(34-22)17-7-8-18-9-10-21(39)37(18)14-17/h3-6,11-13,17-18H,2,7-10,14H2,1H3,(H2,31,32)(H,33,35,40)/t17-,18+/m1/s1
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| InChIKey |
HZNVVUUFSCFYNF-MSOLQXFVSA-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