General Information of the Compound
| Compound ID |
CP0493517
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| Compound Name |
4-[7,7,10,10-tetramethyl-2-(propane-1-sulfonylamino)-5-propyl-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 |
C34H41N3O4S
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| Molecular Weight |
587.786
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| Canonical SMILES |
CCCN1c2ccc(NS(=O)(=O)CCC)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C34H41N3O4S/c1-7-17-37-29-14-13-24(36-42(40,41)18-8-2)19-28(29)35-31(22-9-11-23(12-10-22)32(38)39)25-20-26-27(21-30(25)37)34(5,6)16-15-33(26,3)4/h9-14,19-21,36H,7-8,15-18H2,1-6H3,(H,38,39)
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| InChIKey |
ZGQVDYPFNQVUGH-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