General Information of the Compound
| Compound ID |
CP0483361
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| Compound Name |
4-[(2R,7S)-4,8-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),11(15),12-trien-4-yl]-1-(4-fluorophenyl)butan-1-one
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| Structure |
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| Formula |
C23H25FN2O
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| Molecular Weight |
364.464
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3CCN2c13
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| InChI |
InChI=1S/C23H25FN2O/c24-18-8-6-16(7-9-18)22(27)5-2-12-25-13-11-21-20(15-25)19-4-1-3-17-10-14-26(21)23(17)19/h1,3-4,6-9,20-21H,2,5,10-15H2/t20-,21-/m0/s1
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| InChIKey |
VFYQZTSTHAKQER-SFTDATJTSA-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