General Information of the Compound
| Compound ID |
CP0480062
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| Compound Name |
1-(4,4-difluoropiperidin-1-yl)-4-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]butan-1-one
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| Structure |
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| Formula |
C23H32F2N4O
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| Molecular Weight |
418.532
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| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCCC(=O)N4CCC(F)(F)CC4)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C23H32F2N4O/c1-26-14-15-29-19-7-11-27(16-18(19)17-4-2-5-20(26)22(17)29)10-3-6-21(30)28-12-8-23(24,25)9-13-28/h2,4-5,18-19H,3,6-16H2,1H3/t18-,19-/m0/s1
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| InChIKey |
YNYJUMPPJZXNLG-OALUTQOASA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00957, D(2) dopamine receptor