General Information of the Compound
| Compound ID |
CP0005814
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| Compound Name |
2-[1-ethylsulfonyl-3-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
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| Formula |
C23H21N7O2S2
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| Molecular Weight |
491.602
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| Canonical SMILES |
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1cccs1
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| InChI |
InChI=1S/C23H21N7O2S2/c1-2-34(31,32)28-14-23(15-28,6-7-24)29-13-17(12-27-29)30-19(20-4-3-9-33-20)10-16-11-26-22-18(21(16)30)5-8-25-22/h3-5,8-13H,2,6,14-15H2,1H3,(H,25,26)
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| InChIKey |
QOPCTDIJTCSBPX-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