General Information of the Compound
| Compound ID |
CP0415643
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| Compound Name |
(3R,4S)-3-fluoro-N-methyl-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
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| Structure |
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| Formula |
C27H30F4N6
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| Molecular Weight |
514.571
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| Canonical SMILES |
CN(Cc1ccccc1C(F)(F)F)[C@H]1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)C[C@H]1F
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| InChI |
InChI=1S/C27H30F4N6/c1-35(15-20-5-2-3-7-23(20)27(29,30)31)26-10-12-36(16-24(26)28)11-4-6-19-14-32-25-9-8-21(13-22(19)25)37-17-33-34-18-37/h2-3,5,7-9,13-14,17-18,24,26,32H,4,6,10-12,15-16H2,1H3/t24-,26+/m1/s1
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| InChIKey |
UFYHSHPKWNIZHL-RSXGOPAZSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D