General Information of the Compound
| Compound ID |
CP0444577
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| Compound Name |
4-[2-(4-methoxy-benzenesulfonylamino)-5,7,7,10,10-pentamethyl-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl]-benzoic acid
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| Structure |
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| Formula |
C36H37N3O5S
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| Molecular Weight |
623.775
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
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| InChI |
InChI=1S/C36H37N3O5S/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(22-7-9-23(10-8-22)34(40)41)37-30-19-24(11-16-31(30)39(32)5)38-45(42,43)26-14-12-25(44-6)13-15-26/h7-16,19-21,38H,17-18H2,1-6H3,(H,40,41)
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| InChIKey |
TVWGCBILLCSIPY-UHFFFAOYSA-N
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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