General Information of the Compound
| Compound ID |
CP0553232
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| Compound Name |
2-methyl-5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1,3-benzothiazole
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| Formula |
C22H25N7S
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| Molecular Weight |
419.558
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| Canonical SMILES |
Cc1nc2cc(CN3CCC4(CCN(C4)c4cc(C)nc5ncnn45)C3)ccc2s1
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| InChI |
InChI=1S/C22H25N7S/c1-15-9-20(29-21(25-15)23-14-24-29)28-8-6-22(13-28)5-7-27(12-22)11-17-3-4-19-18(10-17)26-16(2)30-19/h3-4,9-10,14H,5-8,11-13H2,1-2H3
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| InChIKey |
RAIQDPRWZXFCFC-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