General Information of the Compound
| Compound ID |
CP0310453
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| Compound Name |
3-[4-(4-propan-2-yl-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 |
C19H24N6
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| Molecular Weight |
336.443
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| Canonical SMILES |
CC(C)c1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
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| InChI |
InChI=1S/C19H24N6/c1-13(2)19-23-16-12-22-18-15(4-8-21-18)17(16)25(19)14-5-10-24(11-6-14)9-3-7-20/h4,8,12-14H,3,5-6,9-11H2,1-2H3,(H,21,22)
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| InChIKey |
LGFNTUIVXVUUOS-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