General Information of the Compound
| Compound ID |
CP0274272
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| Compound Name |
N-[[3-[(1R,3R)-3-hydroxycyclohexyl]-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 |
C16H21N5O3S
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| Molecular Weight |
363.443
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| Canonical SMILES |
CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1
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| InChI |
InChI=1S/C16H21N5O3S/c1-25(23,24)19-9-14-20-13-8-18-16-12(5-6-17-16)15(13)21(14)10-3-2-4-11(22)7-10/h5-6,8,10-11,19,22H,2-4,7,9H2,1H3,(H,17,18)/t10-,11-/m1/s1
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| InChIKey |
NXWISJUEZUPPDJ-GHMZBOCLSA-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