General Information of the Compound
| Compound ID |
CP0302039
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| Compound Name |
US9242977, 72-1
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| Structure |
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| Formula |
C29H23F3N8O3S
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| Molecular Weight |
620.617
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| Canonical SMILES |
Cc1ccccc1-n1nc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cnc(s2)N2CCCC2=O)nc1)C(F)(F)F
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| InChI |
InChI=1S/C29H23F3N8O3S/c1-17-5-2-3-6-21(17)40-24(13-23(38-40)29(30,31)32)37-26(42)36-19-14-33-27(34-15-19)43-20-10-8-18(9-11-20)22-16-35-28(44-22)39-12-4-7-25(39)41/h2-3,5-6,8-11,13-16H,4,7,12H2,1H3,(H2,36,37,42)
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| InChIKey |
LNKIQGWJPSTAHQ-UHFFFAOYSA-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