General Information of the Compound
| Compound ID |
CP0059921
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| Compound Name |
6-fluoro-3-[3-[(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-12-yl]propyl]-1,2-benzoxazole
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| Structure |
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| Formula |
C24H27FN4O
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| Molecular Weight |
406.505
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| Canonical SMILES |
CN1CCN2[C@H]3CCN(CCCc4noc5cc(F)ccc45)C[C@H]3c3cccc1c23
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| InChI |
InChI=1S/C24H27FN4O/c1-27-12-13-29-21-9-11-28(15-19(21)17-4-2-6-22(27)24(17)29)10-3-5-20-18-8-7-16(25)14-23(18)30-26-20/h2,4,6-8,14,19,21H,3,5,9-13,15H2,1H3/t19-,21-/m0/s1
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| InChIKey |
ZJYUQATUAGWNGI-FPOVZHCZSA-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