General Information of the Compound
| Compound ID |
CP0245384
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| Compound Name |
5-(Dimethylamino)-N-{4-[2-{4-[4-(1-naphthyl)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 |
C40H50N6O4S
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| Molecular Weight |
710.945
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| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
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| InChI |
InChI=1S/C40H50N6O4S/c1-42(2)35-18-10-17-34-33(35)16-11-20-37(34)51(49,50)41-23-6-5-21-40-22-12-26-46(40)39(48)45(38(40)47)25-8-7-24-43-27-29-44(30-28-43)36-19-9-14-31-13-3-4-15-32(31)36/h3-4,9-11,13-20,41H,5-8,12,21-30H2,1-2H3
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| InChIKey |
HNDPSBWXLXUVKK-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