General Information of the Compound
| Compound ID |
CP0449338
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| Compound Name |
4-[7,7,10,10-tetramethyl-5-propyl-2-(3-trifluoromethyl-benzenesulfonylamino)-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 |
C38H38F3N3O4S
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| Molecular Weight |
689.8
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| Canonical SMILES |
CCCN1c2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C38H38F3N3O4S/c1-6-18-44-32-15-14-26(43-49(47,48)27-9-7-8-25(19-27)38(39,40)41)20-31(32)42-34(23-10-12-24(13-11-23)35(45)46)28-21-29-30(22-33(28)44)37(4,5)17-16-36(29,2)3/h7-15,19-22,43H,6,16-18H2,1-5H3,(H,45,46)
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| InChIKey |
KCNPAWJKFHWYSF-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