General Information of the Compound
| Compound ID |
CP0572678
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| Compound Name |
2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
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| Structure |
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| Formula |
C21H24N6O
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| Molecular Weight |
376.464
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| Canonical SMILES |
Oc1cc(ccc1-c1ccc(nn1)N1CCC2(C1)CCCNC2)-c1cn[nH]c1
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| InChI |
InChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24)
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| InChIKey |
RZKZALJPCPTXOQ-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