General Information of the Compound
| Compound ID |
CP0097108
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| Compound Name |
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-N-propan-2-yl-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
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| Structure |
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| Formula |
C30H34N6O2
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| Molecular Weight |
510.642
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| Canonical SMILES |
CC(C)NC(=O)c1ncn-2c1COc1c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc-21
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| InChI |
InChI=1S/C30H34N6O2/c1-20(2)32-30(37)28-27-18-38-29-22(6-4-9-26(29)36(27)19-31-28)12-13-34-14-16-35(17-15-34)25-8-5-7-24-23(25)11-10-21(3)33-24/h4-11,19-20H,12-18H2,1-3H3,(H,32,37)
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| InChIKey |
KPSUZBNHNICQLT-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: 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