General Information of the Compound
| Compound ID |
CP0557264
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| Compound Name |
US8987445, 162
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| Structure |
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| Formula |
C28H23ClN3NaO4S
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| Molecular Weight |
556.019
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| Canonical SMILES |
CCn1c(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])cc2ccc(Cl)cc12
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| InChI |
InChI=1S/C28H24ClN3O4S.Na/c1-3-31-23(14-20-8-11-22(29)15-26(20)31)17-32(27-18(2)25-7-5-4-6-21(25)16-30-27)37(35,36)24-12-9-19(10-13-24)28(33)34;/h4-16H,3,17H2,1-2H3,(H,33,34);/q;+1/p-1
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| InChIKey |
YCCFZAAWAQXMRK-UHFFFAOYSA-M
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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