General Information of the Compound
| Compound ID |
CP0567687
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| Compound Name |
US9266876, 180
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| Structure |
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| Formula |
C23H25F3N8OS
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| Molecular Weight |
518.569
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cccn1)c1sc(nc1-c1nc2ccc(cc2[nH]1)N(C)C)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N8OS/c1-14-12-32(9-10-34(14)18(35)13-33-8-4-7-27-33)21-19(30-22(36-21)23(24,25)26)20-28-16-6-5-15(31(2)3)11-17(16)29-20/h4-8,11,14H,9-10,12-13H2,1-3H3,(H,28,29)/t14-/m1/s1
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| InChIKey |
DIOGWOJCJZVHGC-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