General Information of the Compound
| Compound ID |
CP0488398
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| Compound Name |
5-(Dimethylamino)-N-{4-[2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-7a(5H)-yl]butyl}naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C37H50N6O5S
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| Molecular Weight |
690.911
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
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| InChI |
InChI=1S/C37H50N6O5S/c1-39(2)31-16-10-14-30-29(31)13-11-18-34(30)49(46,47)38-21-7-6-19-37-20-12-24-43(37)36(45)42(35(37)44)23-9-8-22-40-25-27-41(28-26-40)32-15-4-5-17-33(32)48-3/h4-5,10-11,13-18,38H,6-9,12,19-28H2,1-3H3
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| InChIKey |
BWDRIKYJGWEAGX-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