General Information of the Compound
| Compound ID |
CP0497593
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| Compound Name |
4-methyl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
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| Structure |
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| Formula |
C23H27N5O3S
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| Molecular Weight |
453.568
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| Canonical SMILES |
CN1CCOc2cc(ccc12)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
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| InChI |
InChI=1S/C23H27N5O3S/c1-27-12-13-31-23-15-21(4-5-22(23)27)32(29,30)26-19-3-2-17-7-10-28(11-8-18(17)14-19)16-20-6-9-24-25-20/h2-6,9,14-15,26H,7-8,10-13,16H2,1H3,(H,24,25)
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| InChIKey |
ZYVXMBZAPDQCJH-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