General Information of the Compound
| Compound ID |
CP0398731
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| Compound Name |
4-fluoro-N-[2-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]ethyl]benzamide
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| Structure |
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| Formula |
C23H27FN4O
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| Molecular Weight |
394.494
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| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCNC(=O)c4ccc(F)cc4)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C23H27FN4O/c1-26-13-14-28-20-9-11-27(15-19(20)18-3-2-4-21(26)22(18)28)12-10-25-23(29)16-5-7-17(24)8-6-16/h2-8,19-20H,9-15H2,1H3,(H,25,29)/t19-,20-/m0/s1
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| InChIKey |
LYOXRYZFGVMNBM-PMACEKPBSA-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