General Information of the Compound
| Compound ID |
CP0442557
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| Compound Name |
US9199981, F76
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| Structure |
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| Formula |
C25H22F2N6O3
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| Molecular Weight |
492.486
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2cc(ccn12)N1CCCC1=O)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C25H22F2N6O3/c1-14-4-5-15(22-30-24(36-31-22)16-11-25(26,27)12-16)9-18(14)29-23(35)19-13-28-20-10-17(6-8-33(19)20)32-7-2-3-21(32)34/h4-6,8-10,13,16H,2-3,7,11-12H2,1H3,(H,29,35)
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| InChIKey |
FWLZXDPPLHJPDB-UHFFFAOYSA-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