General Information of the Compound
| Compound ID |
CP0465491
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| Compound Name |
4-[2-(biphenyl-4-sulfonylamino)-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 |
C41H39N3O4S
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| Molecular Weight |
669.847
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| Canonical SMILES |
CN1c2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C41H39N3O4S/c1-40(2)21-22-41(3,4)34-25-37-32(24-33(34)40)38(28-11-13-29(14-12-28)39(45)46)42-35-23-30(17-20-36(35)44(37)5)43-49(47,48)31-18-15-27(16-19-31)26-9-7-6-8-10-26/h6-20,23-25,43H,21-22H2,1-5H3,(H,45,46)
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| InChIKey |
ZUZYTZXAGUZPBP-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