General Information of the Compound
| Compound ID |
CP0373426
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| Compound Name |
8-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4-propan-2-yl-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
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| InChI |
InChI=1S/C27H32N4O2/c1-19(2)31-25-9-4-6-21(27(25)33-18-26(31)32)12-13-29-14-16-30(17-15-29)24-8-5-7-23-22(24)11-10-20(3)28-23/h4-11,19H,12-18H2,1-3H3
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| InChIKey |
HSIWZMIMFPOTCB-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter