General Information of the Compound
| Compound ID |
CP0424174
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| Compound Name |
US9062048, 137
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| Formula |
C25H35F3N6O
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| Molecular Weight |
492.59
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| Canonical SMILES |
CCC([C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)N(C)C
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| InChI |
InChI=1S/C25H35F3N6O/c1-4-22(33(2)3)16-5-8-19(9-6-16)34-13-18(14-34)32-23(35)12-29-24-20-11-17(25(26,27)28)7-10-21(20)30-15-31-24/h7,10-11,15-16,18-19,22H,4-6,8-9,12-14H2,1-3H3,(H,32,35)(H,29,30,31)/t16-,19+,22?
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| InChIKey |
FNPLYOUROKYJMC-YNWFCRNISA-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