General Information of the Compound
| Compound ID |
CP0564096
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| Compound Name |
US9266876, 190
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| Structure |
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| Formula |
C27H23F3N6OS
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| Molecular Weight |
536.583
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1cccc2cccnc12)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C27H23F3N6OS/c1-16-15-35(12-13-36(16)21(37)14-18-7-4-6-17-8-5-11-31-22(17)18)25-23(34-26(38-25)27(28,29)30)24-32-19-9-2-3-10-20(19)33-24/h2-11,16H,12-15H2,1H3,(H,32,33)/t16-/m1/s1
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| InChIKey |
OUMWJLAXMADJFX-MRXNPFEDSA-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