General Information of the Compound
| Compound ID |
CP0480424
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| Compound Name |
5-(Dimethylamino)-N-{7-[2-{4-[4-(1-naphthyl)piperazin-1-yl]butyl}-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-7a(5H)-yl]heptyl}naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C43H56N6O4S
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| Molecular Weight |
753.026
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| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCC12CCCN1C(=O)N(CCCCN1CCN(CC1)c1cccc3ccccc13)C2=O
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| InChI |
InChI=1S/C43H56N6O4S/c1-45(2)38-21-13-20-37-36(38)19-14-23-40(37)54(52,53)44-26-9-5-3-4-8-24-43-25-15-29-49(43)42(51)48(41(43)50)28-11-10-27-46-30-32-47(33-31-46)39-22-12-17-34-16-6-7-18-35(34)39/h6-7,12-14,16-23,44H,3-5,8-11,15,24-33H2,1-2H3
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| InChIKey |
XULKSGNOZSMMCZ-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