General Information of the Compound
| Compound ID |
CP0352008
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| Compound Name |
4-methyl-8-[3-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-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 |
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cccc2nc(C)ccc12
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| InChI |
InChI=1S/C27H32N4O2/c1-19-12-13-22-23(28-19)9-5-10-24(22)31-16-15-30(20(2)17-31)14-6-8-21-7-4-11-25-27(21)33-18-26(32)29(25)3/h4-5,7,9-13,20H,6,8,14-18H2,1-3H3/t20-/m1/s1
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| InChIKey |
GIQHYUIXZZZJQF-HXUWFJFHSA-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