General Information of the Compound
| Compound ID |
CP0398940
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| Compound Name |
6-[2-[(1R,4R)-5-(2-methylquinolin-5-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C25H26N4O2
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| Molecular Weight |
414.509
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| Canonical SMILES |
Cc1ccc2c(cccc2n1)N1C[C@H]2C[C@@H]1CN2CCc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C25H26N4O2/c1-16-5-7-20-21(26-16)3-2-4-23(20)29-14-18-12-19(29)13-28(18)10-9-17-6-8-24-22(11-17)27-25(30)15-31-24/h2-8,11,18-19H,9-10,12-15H2,1H3,(H,27,30)/t18-,19-/m1/s1
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| InChIKey |
QQZCBFBISXKVSQ-RTBURBONSA-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