General Information of the Compound
| Compound ID |
CP0512078
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| Compound Name |
US9139578, 8
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| Structure |
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| Formula |
C22H20FN9O5S2
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| Molecular Weight |
573.592
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| Canonical SMILES |
Cc1noc(C)c1NC(=O)NC(c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(cc2s1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C22H20FN9O5S2/c1-10-18(11(2)37-32-10)28-22(33)29-19(20-31-30-17(36-20)9-26-39(24,34)35)21-27-14-5-3-12(7-15(14)38-21)13-4-6-16(23)25-8-13/h3-8,19,26H,9H2,1-2H3,(H2,24,34,35)(H2,28,29,33)
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| InChIKey |
LEXOEMDADCEKEP-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