General Information of the Compound
| Compound ID |
CP0412201
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| Compound Name |
US9199981, F163
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| Structure |
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| Formula |
C25H21F2N7O2
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| Molecular Weight |
489.486
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| Canonical SMILES |
Cc1cncn1-c1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C25H21F2N7O2/c1-14-3-4-16(22-31-24(36-32-22)17-8-25(26,27)9-17)7-19(14)30-23(35)20-11-29-21-6-5-18(12-33(20)21)34-13-28-10-15(34)2/h3-7,10-13,17H,8-9H2,1-2H3,(H,30,35)
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| InChIKey |
FADGXYVECDRQNC-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