General Information of the Compound
| Compound ID |
CP0073872
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| Compound Name |
3-[8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]adamantan-1-ol
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| Structure |
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| Formula |
C23H24ClN3O2
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| Molecular Weight |
409.917
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| Canonical SMILES |
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CC3CC(CC(O)(C3)C1)C2
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| InChI |
InChI=1S/C23H24ClN3O2/c1-14-17(24)4-2-5-18(14)29-19-6-3-7-27-20(19)25-26-21(27)22-9-15-8-16(10-22)12-23(28,11-15)13-22/h2-7,15-16,28H,8-13H2,1H3
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| InChIKey |
LMTDRJINJCULCX-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