General Information of the Compound
| Compound ID |
CP0089820
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| Compound Name |
1-(6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazin-3-yl)ethanone O-methyl oxime
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| Structure |
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| Formula |
C29H32N6O2
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| Molecular Weight |
496.615
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| Canonical SMILES |
CO\N=C(/C)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
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| InChI |
InChI=1S/C29H32N6O2/c1-20-10-11-23-24(31-20)7-5-8-25(23)34-16-14-33(15-17-34)13-12-22-6-4-9-26-29(22)37-18-27-28(21(2)32-36-3)30-19-35(26)27/h4-11,19H,12-18H2,1-3H3/b32-21+
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| InChIKey |
QUHVYHRTOAXCMZ-RUMWWMSVSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT00871, Sodium-dependent serotonin transporter