General Information of the Compound
| Compound ID |
CP0379052
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| Compound Name |
[4-[[3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C33H36N4O6S
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| Molecular Weight |
616.74
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| Canonical SMILES |
O=C(CC1CC2CCC1C2)N1CCC(CC1)N1C(Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)C(=O)NC1=O
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| InChI |
InChI=1S/C33H36N4O6S/c38-31(19-25-17-22-4-7-23(25)16-22)36-14-11-26(12-15-36)37-29(32(39)35-33(37)40)18-21-5-8-27(9-6-21)43-44(41,42)30-3-1-2-24-20-34-13-10-28(24)30/h1-3,5-6,8-10,13,20,22-23,25-26,29H,4,7,11-12,14-19H2,(H,35,39,40)
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| InChIKey |
AFNWPGDONRDFEE-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