General Information of the Compound
| Compound ID |
CP0509020
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| Compound Name |
US8987445, 236
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| Structure |
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| Formula |
C26H20ClN3O4S
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| Molecular Weight |
505.983
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2[nH]cc(Cl)c2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H20ClN3O4S/c1-16-21-5-3-2-4-19(21)13-29-25(16)30(15-17-6-11-24-22(12-17)23(27)14-28-24)35(33,34)20-9-7-18(8-10-20)26(31)32/h2-14,28H,15H2,1H3,(H,31,32)
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| InChIKey |
BOIFQEQCUXPMRH-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