General Information of the Compound
| Compound ID |
CP0515246
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| Compound Name |
US9266876, 196
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| Structure |
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| Formula |
C26H22F3N7O2S
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| Molecular Weight |
553.57
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1nnc(o1)-c1ccccc1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C26H22F3N7O2S/c1-15-14-35(11-12-36(15)20(37)13-19-33-34-23(38-19)16-7-3-2-4-8-16)24-21(32-25(39-24)26(27,28)29)22-30-17-9-5-6-10-18(17)31-22/h2-10,15H,11-14H2,1H3,(H,30,31)/t15-/m1/s1
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| InChIKey |
UCQYOYDHRMQDFD-OAHLLOKOSA-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