General Information of the Compound
| Compound ID |
CP0193948
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| Compound Name |
4-phenyl-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 |
C26H26N4O2S
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| Molecular Weight |
458.587
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| Canonical SMILES |
O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C26H26N4O2S/c31-33(32,26-10-7-21(8-11-26)20-4-2-1-3-5-20)29-24-9-6-22-13-16-30(17-14-23(22)18-24)19-25-12-15-27-28-25/h1-12,15,18,29H,13-14,16-17,19H2,(H,27,28)
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| InChIKey |
GSIRAOVJCFHRIN-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