General Information of the Compound
| Compound ID |
CP0570754
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| Compound Name |
US9663510, Example comparitive example 4
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| Structure |
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| Formula |
C30H26FN5O4S
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| Molecular Weight |
571.634
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| Canonical SMILES |
COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)C2(CC2)c2ccc(F)cc2)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C30H26FN5O4S/c1-40-26-17-24(41(2,38)39)12-13-25(26)33-29-34-27-14-5-20(18-36(27)35-29)19-3-10-23(11-4-19)32-28(37)30(15-16-30)21-6-8-22(31)9-7-21/h3-14,17-18H,15-16H2,1-2H3,(H,32,37)(H,33,35)
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| InChIKey |
BGGBSYYSDYIPKK-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