General Information of the Compound
| Compound ID |
CP0323227
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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]-2-methylpropane-1-sulfonamide
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| Structure |
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| Formula |
C21H29N7O2S
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| Molecular Weight |
443.577
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| Canonical SMILES |
CC(C)CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1
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| InChI |
InChI=1S/C21H29N7O2S/c1-15(2)14-31(29,30)25-13-19-26-18-12-24-21-17(4-8-23-21)20(18)28(19)16-5-10-27(11-6-16)9-3-7-22/h4,8,12,15-16,25H,3,5-6,9-11,13-14H2,1-2H3,(H,23,24)
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| InChIKey |
MWDRVQPRAPNFKD-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