General Information of the Compound
| Compound ID |
CP0528370
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| Compound Name |
4-[5,7,7,10,10-pentamethyl-2-(toluene-4-sulfonylamino)-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 |
C36H37N3O4S
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| Molecular Weight |
607.776
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| Canonical SMILES |
CN1c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C36H37N3O4S/c1-22-7-14-26(15-8-22)44(42,43)38-25-13-16-31-30(19-25)37-33(23-9-11-24(12-10-23)34(40)41)27-20-28-29(21-32(27)39(31)6)36(4,5)18-17-35(28,2)3/h7-16,19-21,38H,17-18H2,1-6H3,(H,40,41)
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| InChIKey |
CGUNKSWFFNINCY-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