General Information of the Compound
| Compound ID |
CP0354687
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| Compound Name |
4-propan-2-yloxy-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 |
C23H28N4O3S
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| Molecular Weight |
440.569
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| Canonical SMILES |
CC(C)Oc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
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| InChI |
InChI=1S/C23H28N4O3S/c1-17(2)30-22-5-7-23(8-6-22)31(28,29)26-20-4-3-18-10-13-27(14-11-19(18)15-20)16-21-9-12-24-25-21/h3-9,12,15,17,26H,10-11,13-14,16H2,1-2H3,(H,24,25)
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| InChIKey |
GHHKXCCOHHVPRP-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