General Information of the Compound
| Compound ID |
CP0549855
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| Compound Name |
US9193726, 2
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CCC[C@H]1Oc1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N4O3/c1-15-13-29(14-28-15)18-9-10-19-23(33)30(11-12-31(19)22(18)32)17-6-4-8-21(17)34-20-7-3-2-5-16(20)24(25,26)27/h2-3,5,7,9-10,13-14,17,21H,4,6,8,11-12H2,1H3/t17-,21-/m1/s1
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| InChIKey |
KQZAACHYOMQSHM-DYESRHJHSA-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