General Information of the Compound
| Compound ID |
CP0488957
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| Compound Name |
3-[(5-Ethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino)-methyl]-11-(1H-tetrazol-5-yl)-dibenzo[a,d]cyclohepten-5-one
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| Structure |
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| Formula |
C25H20N8O
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| Molecular Weight |
448.49
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| Canonical SMILES |
CCc1cc(NCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)n2nccc2n1
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| InChI |
InChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
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| InChIKey |
ANIKSCLODKRPIM-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