General Information of the Compound
| Compound ID |
CP0442017
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| Compound Name |
US8987445, 165
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| Structure |
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| Formula |
C27H21ClN3NaO4S
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| Molecular Weight |
541.992
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2c(Cl)cccc2n1C)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C27H22ClN3O4S.Na/c1-17-22-7-4-3-6-19(22)15-29-26(17)31(36(34,35)21-12-10-18(11-13-21)27(32)33)16-20-14-23-24(28)8-5-9-25(23)30(20)2;/h3-15H,16H2,1-2H3,(H,32,33);/q;+1/p-1
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| InChIKey |
JVQMEQAEPDDRQL-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