General Information of the Compound
| Compound ID |
CP0512010
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| Compound Name |
US9199981, F89
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| Formula |
C23H20F3N5O3
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| Molecular Weight |
471.439
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| Canonical SMILES |
Cc1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1C)-c1noc(n1)[C@H]1C[C@@](O)(C1)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N5O3/c1-12-5-6-31-17(11-27-18(31)7-12)20(32)28-16-8-14(4-3-13(16)2)19-29-21(34-30-19)15-9-22(33,10-15)23(24,25)26/h3-8,11,15,33H,9-10H2,1-2H3,(H,28,32)/t15-,22+
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| InChIKey |
NOMMXAAIKCBMRF-FVUUGDKNSA-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