General Information of the Compound
| Compound ID |
CP0493162
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| Compound Name |
US9266876, 93
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| Structure |
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| Formula |
C24H20ClF3N8OS
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| Molecular Weight |
560.993
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(Cl)c(cc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C24H20ClF3N8OS/c1-13-9-34(5-6-36(13)19(37)10-35-11-30-16-3-2-4-29-22(16)35)23-20(31-12-38-23)21-32-17-7-14(24(26,27)28)15(25)8-18(17)33-21/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,32,33)/t13-/m1/s1
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| InChIKey |
SWADDIZTSADMDS-CYBMUJFWSA-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