General Information of the Compound
| Compound ID |
CP0513394
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| Compound Name |
US9266876, 177
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| Structure |
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| Formula |
C27H24F3N7OS
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| Molecular Weight |
551.598
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc(n1)-c1ccccc1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C27H24F3N7OS/c1-17-15-35(13-14-37(17)22(38)16-36-12-11-19(34-36)18-7-3-2-4-8-18)25-23(33-26(39-25)27(28,29)30)24-31-20-9-5-6-10-21(20)32-24/h2-12,17H,13-16H2,1H3,(H,31,32)/t17-/m1/s1
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| InChIKey |
UPOMJVFFBMUVCL-QGZVFWFLSA-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