General Information of the Compound
| Compound ID |
CP0920567
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| Compound Name |
US9062048, 30
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| Structure |
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| Formula |
C25H34F3N5O2
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| Molecular Weight |
493.574
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| Canonical SMILES |
CCC(O)(CC)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1
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| InChI |
InChI=1S/C25H34F3N5O2/c1-3-24(35,4-2)16-5-8-19(9-6-16)33-13-18(14-33)32-22(34)12-29-23-20-11-17(25(26,27)28)7-10-21(20)30-15-31-23/h7,10-11,15-16,18-19,35H,3-6,8-9,12-14H2,1-2H3,(H,32,34)(H,29,30,31)
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| InChIKey |
BMVAXUGUUMCPHI-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