General Information of the Compound
| Compound ID |
CP0425302
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| Compound Name |
6-Methoxy-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one
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| Structure |
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| Formula |
C24H27N3O6S
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| Molecular Weight |
485.562
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| Canonical SMILES |
COc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
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| InChI |
InChI=1S/C24H27N3O6S/c1-32-18-8-9-20-21(16-18)33-24(29)27(20)17-10-14-25(15-11-17)12-4-5-13-26-23(28)19-6-2-3-7-22(19)34(26,30)31/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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| InChIKey |
UPBBTGBTRMORRK-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor