General Information of the Compound
| Compound ID |
CP0533295
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| Compound Name |
7-[7-(1,3-benzodioxol-5-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
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| Formula |
C21H24N6O2
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| Molecular Weight |
392.463
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| Canonical SMILES |
Cc1cc(N2CCC3(CCN(Cc4ccc5OCOc5c4)C3)C2)n2ncnc2n1
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| InChI |
InChI=1S/C21H24N6O2/c1-15-8-19(27-20(24-15)22-13-23-27)26-7-5-21(12-26)4-6-25(11-21)10-16-2-3-17-18(9-16)29-14-28-17/h2-3,8-9,13H,4-7,10-12,14H2,1H3
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| InChIKey |
DDHFADGXTFDCJC-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