General Information of the Compound
| Compound ID |
CP0552494
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| Compound Name |
US9481682, 156
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| Structure |
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| Formula |
C29H26F3N7O4
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| Molecular Weight |
593.566
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| Canonical SMILES |
CC(=O)Nc1nccn2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C29H26F3N7O4/c1-15(40)35-26-25-24(37-27(38(25)11-10-34-26)17-2-4-19-5-7-23(42)39(19)14-17)20-6-3-16(12-21(20)41)28(43)36-22-13-18(8-9-33-22)29(30,31)32/h3,6,8-13,17,19,41H,2,4-5,7,14H2,1H3,(H,33,36,43)(H,34,35,40)/t17-,19+/m1/s1
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| InChIKey |
SYDQYUMPGMBDSW-MJGOQNOKSA-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