General Information of the Compound
| Compound ID |
CP0465492
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| Compound Name |
4-[5,7,7,10,10-pentamethyl-2-(naphthalene-1-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 |
C39H37N3O4S
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| Molecular Weight |
643.809
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| Canonical SMILES |
CN1c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
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| InChI |
InChI=1S/C39H37N3O4S/c1-38(2)19-20-39(3,4)31-23-34-29(22-30(31)38)36(25-13-15-26(16-14-25)37(43)44)40-32-21-27(17-18-33(32)42(34)5)41-47(45,46)35-12-8-10-24-9-6-7-11-28(24)35/h6-18,21-23,41H,19-20H2,1-5H3,(H,43,44)
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| InChIKey |
FIHASMHGRHRIGK-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