General Information of the Compound
| Compound ID |
CP0345485
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| Compound Name |
N-[[3-[1-(2-cyanoethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]methyl]methanesulfonamide
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| Structure |
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| Formula |
C18H23N7O2S
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| Molecular Weight |
401.496
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| Canonical SMILES |
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
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| InChI |
InChI=1S/C18H23N7O2S/c1-28(26,27)22-12-16-23-15-11-21-18-14(3-7-20-18)17(15)25(16)13-4-9-24(10-5-13)8-2-6-19/h3,7,11,13,22H,2,4-5,8-10,12H2,1H3,(H,20,21)
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| InChIKey |
YIOKZYGRSNWOOM-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