General Information of the Compound
| Compound ID |
CP0559266
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| Compound Name |
US9481682, 34
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| Structure |
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| Formula |
C27H23FN8O2
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| Molecular Weight |
510.533
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(C(=O)Nc4cc(ccn4)C#N)c(F)c3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C27H23FN8O2/c28-20-12-16(2-5-19(20)27(38)33-21-11-15(13-29)7-8-31-21)23-24-25(30)32-9-10-35(24)26(34-23)17-1-3-18-4-6-22(37)36(18)14-17/h2,5,7-12,17-18H,1,3-4,6,14H2,(H2,30,32)(H,31,33,38)/t17-,18+/m1/s1
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| InChIKey |
QCHODBCNPVQKEA-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