General Information of the Compound
| Compound ID |
CP0507367
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| Compound Name |
US9481682, 205
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| Structure |
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| Formula |
C29H31F3N8O3
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| Molecular Weight |
596.614
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| Canonical SMILES |
CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(C)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F
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| InChI |
InChI=1S/C29H31F3N8O3/c1-4-43-20-11-16(28(42)35-22-12-21(29(30,31)32)38(3)37-22)6-9-19(20)24-25-26(33)34-13-15(2)40(25)27(36-24)17-5-7-18-8-10-23(41)39(18)14-17/h6,9,11-13,17-18H,4-5,7-8,10,14H2,1-3H3,(H2,33,34)(H,35,37,42)/t17-,18+/m1/s1
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| InChIKey |
VAPKBHNMHIJLAG-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