General Information of the Compound
| Compound ID |
CP0172953
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| Compound Name |
(Cis)2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
COc1cccc2C3CN(CCn4c(=O)[nH]c5c6ccccc6[nH]c5c4=O)CC3CCc12
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| InChI |
InChI=1S/C25H26N4O3/c1-32-21-8-4-6-16-17(21)10-9-15-13-28(14-19(15)16)11-12-29-24(30)23-22(27-25(29)31)18-5-2-3-7-20(18)26-23/h2-8,15,19,26H,9-14H2,1H3,(H,27,31)
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| InChIKey |
WIRHRVAPDHCAEN-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: PT01849, Alpha-1B adrenergic receptor
Protein ID: PT02075, Alpha-1D adrenergic receptor