General Information of the Compound
| Compound ID |
CP0088180
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| Compound Name |
3-[4-[4-(oxan-4-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 |
C22H28N6O
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| Molecular Weight |
392.507
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| Canonical SMILES |
N#CCCN1CCC(CC1)n1c(CC2CCOCC2)nc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C22H28N6O/c23-7-1-9-27-10-3-17(4-11-27)28-20(14-16-5-12-29-13-6-16)26-19-15-25-22-18(21(19)28)2-8-24-22/h2,8,15-17H,1,3-6,9-14H2,(H,24,25)
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| InChIKey |
IHGDOACPUGCURU-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