General Information of the Compound
| Compound ID |
CP0483323
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| Compound Name |
US9266876, 205
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| Structure |
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| Formula |
C26H21F5N6O2S
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| Molecular Weight |
576.551
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)CN1C(=O)C(F)(F)c2ccccc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F5N6O2S/c1-14-12-35(10-11-36(14)19(38)13-37-18-9-5-2-6-15(18)25(27,28)24(37)39)22-20(34-23(40-22)26(29,30)31)21-32-16-7-3-4-8-17(16)33-21/h2-9,14H,10-13H2,1H3,(H,32,33)/t14-/m1/s1
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| InChIKey |
AFUOHZJSVAWGAN-CQSZACIVSA-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