General Information of the Compound
| Compound ID |
CP0247820
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| Compound Name |
3-[4-[4-[2-(1-methylimidazol-2-yl)ethyl]-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 |
C22H26N8
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| Molecular Weight |
402.506
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| Canonical SMILES |
Cn1ccnc1CCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
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| InChI |
InChI=1S/C22H26N8/c1-28-14-10-24-19(28)3-4-20-27-18-15-26-22-17(5-9-25-22)21(18)30(20)16-6-12-29(13-7-16)11-2-8-23/h5,9-10,14-16H,2-4,6-7,11-13H2,1H3,(H,25,26)
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| InChIKey |
KXHHHVBBNMUUHR-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