General Information of the Compound
| Compound ID |
CP0255491
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| Compound Name |
2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)methyl)-8-methoxy-4-propyl-3,4-dihydro-2H-benzo[b][1,4]oxazine
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| Structure |
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| Formula |
C26H30FN3O2
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| Molecular Weight |
435.543
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| Canonical SMILES |
CCCN1CC(CN2CCC(=CC2)c2c[nH]c3ccc(F)cc23)Oc2c(OC)cccc12
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| InChI |
InChI=1S/C26H30FN3O2/c1-3-11-30-17-20(32-26-24(30)5-4-6-25(26)31-2)16-29-12-9-18(10-13-29)22-15-28-23-8-7-19(27)14-21(22)23/h4-9,14-15,20,28H,3,10-13,16-17H2,1-2H3
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| InChIKey |
KBGIAHKLLKPEIS-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