General Information of the Compound
| Compound ID |
CP0509015
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| Compound Name |
US8987445, 168
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| Structure |
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| Formula |
C29H23ClN3NaO4S
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| Molecular Weight |
568.03
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2cc(Cl)ccc2n1C1CC1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
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| InChI |
InChI=1S/C29H24ClN3O4S.Na/c1-18-26-5-3-2-4-20(26)16-31-28(18)32(38(36,37)25-11-6-19(7-12-25)29(34)35)17-24-15-21-14-22(30)8-13-27(21)33(24)23-9-10-23;/h2-8,11-16,23H,9-10,17H2,1H3,(H,34,35);/q;+1/p-1
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| InChIKey |
HBCSXAVHKSTTJT-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