General Information of the Compound
| Compound ID |
CP0914761
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| Compound Name |
US9446130, 5
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| Structure |
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| Formula |
C25H20F3N9O
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| Molecular Weight |
519.491
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| Canonical SMILES |
Nc1ncnc2c1c(-c1ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc1)nn2[C@@H]1CCCc2[nH]ncc21
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| InChI |
InChI=1S/C25H20F3N9O/c26-25(27,28)15-8-9-30-19(10-15)34-24(38)14-6-4-13(5-7-14)21-20-22(29)31-12-32-23(20)37(36-21)18-3-1-2-17-16(18)11-33-35-17/h4-12,18H,1-3H2,(H,33,35)(H2,29,31,32)(H,30,34,38)/t18-/m1/s1
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| InChIKey |
CEPZPPWLYMJTKZ-GOSISDBHSA-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