General Information of the Compound
| Compound ID |
CP0414459
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| Compound Name |
1-(4-fluorophenyl)-4-[(2S,8S)-14-oxa-1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-5-yl]butan-1-one
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| Structure |
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| Formula |
C24H27FN2O2
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| Molecular Weight |
394.49
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](CC1)c1cccc3OCCN2c13
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| InChI |
InChI=1S/C24H27FN2O2/c25-18-8-6-17(7-9-18)22(28)4-2-12-26-13-10-19-20-3-1-5-23-24(20)27(15-16-29-23)21(19)11-14-26/h1,3,5-9,19,21H,2,4,10-16H2/t19-,21-/m0/s1
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| InChIKey |
XCUDOUJECKZVAJ-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