General Information of the Compound
| Compound ID |
CP0373613
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| Compound Name |
5-(Dimethylamino)-N-(3-{4-[4-({[5-(dimethylamino)-1-naphthyl]-sulfonyl}amino)butyl]piperazin-1-yl}-4-methoxyphenyl)naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C39H48N6O5S2
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| Molecular Weight |
744.984
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)cc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(cccc23)N(C)C)CC1
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| InChI |
InChI=1S/C39H48N6O5S2/c1-42(2)34-16-8-14-32-30(34)12-10-18-38(32)51(46,47)40-22-6-7-23-44-24-26-45(27-25-44)36-28-29(20-21-37(36)50-5)41-52(48,49)39-19-11-13-31-33(39)15-9-17-35(31)43(3)4/h8-21,28,40-41H,6-7,22-27H2,1-5H3
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| InChIKey |
UZOCTPARSJOREP-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