General Information of the Compound
| Compound ID |
CP0014116
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| Compound Name |
2-[1-ethylsulfonyl-3-[4-[4-[5-(hydroxymethyl)furan-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 |
C24H23N7O4S
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| Molecular Weight |
505.56
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| Canonical SMILES |
CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-n1c(cc2cnc3[nH]ccc3c12)-c1ccc(CO)o1
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| InChI |
InChI=1S/C24H23N7O4S/c1-2-36(33,34)29-14-24(15-29,6-7-25)30-12-17(11-28-30)31-20(21-4-3-18(13-32)35-21)9-16-10-27-23-19(22(16)31)5-8-26-23/h3-5,8-12,32H,2,6,13-15H2,1H3,(H,26,27)
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| InChIKey |
FBMMJCLHMFIELU-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