General Information of the Compound
| Compound ID |
CP0376525
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| Compound Name |
2,2-dimethyl-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3,4-dihydrochromene-6-sulfonamide
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| Structure |
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| Formula |
C25H30N4O3S
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| Molecular Weight |
466.607
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| Canonical SMILES |
CC1(C)CCc2cc(ccc2O1)S(=O)(=O)Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1
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| InChI |
InChI=1S/C25H30N4O3S/c1-25(2)11-7-20-16-23(5-6-24(20)32-25)33(30,31)28-21-4-3-18-9-13-29(14-10-19(18)15-21)17-22-8-12-26-27-22/h3-6,8,12,15-16,28H,7,9-11,13-14,17H2,1-2H3,(H,26,27)
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| InChIKey |
LETHZUWMSLKXIX-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