General Information of the Compound
| Compound ID |
CP0456010
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| Compound Name |
US9216968, 212
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| Structure |
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| Formula |
C25H23ClN4O5S
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| Molecular Weight |
527.002
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3S(C)(=O)=O)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C25H23ClN4O5S/c1-14-18(26)8-6-9-19(14)29-25(32)17-11-15(12-20-23(17)30-22(28-20)13-35-2)27-24(31)16-7-4-5-10-21(16)36(3,33)34/h4-12H,13H2,1-3H3,(H,27,31)(H,28,30)(H,29,32)
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| InChIKey |
ZPPORFCUDHLMJX-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