General Information of the Compound
| Compound ID |
CP0561135
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| Compound Name |
US8987445, 42
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| Structure |
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| Formula |
C28H25N2NaO5S
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| Molecular Weight |
524.574
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(OCC2CC2)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C28H26N2O5S.Na/c1-19-26-5-3-2-4-23(26)16-29-27(19)30(36(33,34)25-14-10-22(11-15-25)28(31)32)17-20-8-12-24(13-9-20)35-18-21-6-7-21;/h2-5,8-16,21H,6-7,17-18H2,1H3,(H,31,32);/q;+1/p-1
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| InChIKey |
YYVPIMBOGLYGRS-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