General Information of the Compound
| Compound ID |
CP0284087
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| Compound Name |
N-[[3-(7-oxabicyclo[2.2.1]heptan-2-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 |
C16H19N5O3S
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| Molecular Weight |
361.427
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| Canonical SMILES |
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1O2
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| InChI |
InChI=1S/C16H19N5O3S/c1-25(22,23)19-8-14-20-11-7-18-16-10(4-5-17-16)15(11)21(14)12-6-9-2-3-13(12)24-9/h4-5,7,9,12-13,19H,2-3,6,8H2,1H3,(H,17,18)
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| InChIKey |
WHBVZVAHUZFHHD-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