General Information of the Compound
| Compound ID |
CP0424142
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| Compound Name |
US8987445, 163
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| Structure |
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| Formula |
C27H20N3NaO4S
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| Molecular Weight |
505.531
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C27H21N3O4S.Na/c1-18-24-8-4-2-7-22(24)16-29-26(18)30(17-19-14-21-6-3-5-9-25(21)28-15-19)35(33,34)23-12-10-20(11-13-23)27(31)32;/h2-16H,17H2,1H3,(H,31,32);/q;+1/p-1
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| InChIKey |
WLRWXHUCRQDGET-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