General Information of the Compound
| Compound ID |
CP0158234
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| Compound Name |
US8680275, 195
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| Structure |
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| Formula |
C25H23F3N4O
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| Molecular Weight |
452.48
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| Canonical SMILES |
Cc1ccc(c(c1)C(=O)N1CC[C@H]2CN([C@H]2C1)c1ccnc(n1)-c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C25H23F3N4O/c1-16-7-8-20(25(26,27)28)19(13-16)24(33)31-12-10-18-14-32(21(18)15-31)22-9-11-29-23(30-22)17-5-3-2-4-6-17/h2-9,11,13,18,21H,10,12,14-15H2,1H3/t18-,21-/m0/s1
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| InChIKey |
PRZINKCNQUYNTL-RXVVDRJESA-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