General Information of the Compound
| Compound ID |
CP0369177
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| Compound Name |
3-[4-[4-(oxolan-2-ylmethyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]piperidin-1-yl]propanenitrile
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
N#CCCN1CCC(CC1)n1c(CC2CCCO2)nc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C21H26N6O/c22-7-2-9-26-10-5-15(6-11-26)27-19(13-16-3-1-12-28-16)25-18-14-24-21-17(20(18)27)4-8-23-21/h4,8,14-16H,1-3,5-6,9-13H2,(H,23,24)
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| InChIKey |
WKQIRKOOEYBXBJ-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