General Information of the Compound
| Compound ID |
CP0465802
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| Compound Name |
US9422293, 90B
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| Structure |
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| Formula |
C25H23F6N7O
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| Molecular Weight |
551.495
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCNC(=O)C2)cc1
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| InChI |
InChI=1S/C25H23F6N7O/c26-24(27,28)15-3-5-16(6-4-15)34-21-17-7-11-37(22-18(25(29,30)31)2-1-9-33-22)12-8-19(17)35-23(36-21)38-13-10-32-20(39)14-38/h1-6,9H,7-8,10-14H2,(H,32,39)(H,34,35,36)
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| InChIKey |
GUSXKUQKYPGWKQ-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