General Information of the Compound
| Compound ID |
CP0373427
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| Compound Name |
8-[3-[(2R)-4-(7-fluoro-2-methylquinolin-5-yl)-2-methylpiperazin-1-yl]propyl]-4-methyl-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C27H31FN4O2
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| Molecular Weight |
462.569
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| Canonical SMILES |
C[C@@H]1CN(CCN1CCCc1cccc2N(C)C(=O)COc12)c1cc(F)cc2nc(C)ccc12
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| InChI |
InChI=1S/C27H31FN4O2/c1-18-9-10-22-23(29-18)14-21(28)15-25(22)32-13-12-31(19(2)16-32)11-5-7-20-6-4-8-24-27(20)34-17-26(33)30(24)3/h4,6,8-10,14-15,19H,5,7,11-13,16-17H2,1-3H3/t19-/m1/s1
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| InChIKey |
QEDKPWFZXOCKMT-LJQANCHMSA-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