General Information of the Compound
| Compound ID |
CP0529243
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| Compound Name |
US9266876, 32
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| Structure |
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| Formula |
C25H22F3N7O2S
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| Molecular Weight |
541.559
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| Canonical SMILES |
Cn1c2ccccc2n(CC(=O)N2CCN(CC2)c2scnc2-c2nc3cc(ccc3[nH]2)C(F)(F)F)c1=O
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| InChI |
InChI=1S/C25H22F3N7O2S/c1-32-18-4-2-3-5-19(18)35(24(32)37)13-20(36)33-8-10-34(11-9-33)23-21(29-14-38-23)22-30-16-7-6-15(25(26,27)28)12-17(16)31-22/h2-7,12,14H,8-11,13H2,1H3,(H,30,31)
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| InChIKey |
HWAONVMHZWJJNS-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