General Information of the Compound
| Compound ID |
CP0062919
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| Compound Name |
3-chloro-4-methyl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H23ClN4O2S
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| Molecular Weight |
430.961
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| Canonical SMILES |
Cc1ccc(cc1Cl)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
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| InChI |
InChI=1S/C21H23ClN4O2S/c1-15-2-5-20(13-21(15)22)29(27,28)25-18-4-3-16-7-10-26(11-8-17(16)12-18)14-19-6-9-23-24-19/h2-6,9,12-13,25H,7-8,10-11,14H2,1H3,(H,23,24)
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| InChIKey |
CZZLANJHXIERAX-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