General Information of the Compound
| Compound ID |
CP0423700
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| Compound Name |
4-cyclopropyl-8-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C27H30N4O2
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| Molecular Weight |
442.563
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
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| InChI |
InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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| InChIKey |
KXHGSYJSIPFIRS-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