General Information of the Compound
| Compound ID |
CP0362584
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| Compound Name |
N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propane-2-sulfonamide
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| Structure |
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| Formula |
C17H24N4O2S
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| Molecular Weight |
348.472
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| Canonical SMILES |
CC(C)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
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| InChI |
InChI=1S/C17H24N4O2S/c1-13(2)24(22,23)20-16-4-3-14-6-9-21(10-7-15(14)11-16)12-17-5-8-18-19-17/h3-5,8,11,13,20H,6-7,9-10,12H2,1-2H3,(H,18,19)
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| InChIKey |
JSMNLZMOYUANDZ-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