General Information of the Compound
| Compound ID |
CP0343973
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| Compound Name |
2-((4-(1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)methyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine
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| Structure |
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| Formula |
C22H23N3O
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| Molecular Weight |
345.446
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| Canonical SMILES |
C(C1CNc2ccccc2O1)N1CCC(=CC1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H23N3O/c1-2-6-20-18(5-1)19(14-24-20)16-9-11-25(12-10-16)15-17-13-23-21-7-3-4-8-22(21)26-17/h1-9,14,17,23-24H,10-13,15H2
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| InChIKey |
VSXPSCOXEGOPID-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