General Information of the Compound
| Compound ID |
CP0556468
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| Compound Name |
US8987445, 159
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| Structure |
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| Formula |
C27H22N3NaO4S
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| Molecular Weight |
507.547
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2ccccc2n1C)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C27H23N3O4S.Na/c1-18-24-9-5-3-8-21(24)16-28-26(18)30(17-22-15-20-7-4-6-10-25(20)29(22)2)35(33,34)23-13-11-19(12-14-23)27(31)32;/h3-16H,17H2,1-2H3,(H,31,32);/q;+1/p-1
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| InChIKey |
IGKZNAQDGIQFFF-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