General Information of the Compound
| Compound ID |
CP0425472
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| Compound Name |
[4-[[6-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl] isoquinoline-5-sulfonate
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| Structure |
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| Formula |
C33H35N5O6S
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| Molecular Weight |
629.739
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| Canonical SMILES |
O=C(CC1CC2CCC1C2)N1CCN(CC1)c1cc(=O)[nH]c(=O)n1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C33H35N5O6S/c39-30-19-31(36-12-14-37(15-13-36)32(40)18-26-17-23-4-7-24(26)16-23)38(33(41)35-30)21-22-5-8-27(9-6-22)44-45(42,43)29-3-1-2-25-20-34-11-10-28(25)29/h1-3,5-6,8-11,19-20,23-24,26H,4,7,12-18,21H2,(H,35,39,41)
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| InChIKey |
CSINPSFCUWCPHW-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