General Information of the Compound
| Compound ID |
CP0462723
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| Compound Name |
3-[(2S)-2-fluoro-3-[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
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| Structure |
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| Formula |
C25H28F2N6
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| Molecular Weight |
450.537
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| Canonical SMILES |
F[C@H](CN1CCN(CCc2cccc(F)c2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C25H28F2N6/c26-21-3-1-2-19(12-21)6-7-31-8-10-32(11-9-31)16-22(27)13-20-15-28-25-5-4-23(14-24(20)25)33-17-29-30-18-33/h1-5,12,14-15,17-18,22,28H,6-11,13,16H2/t22-/m0/s1
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| InChIKey |
ZIULJQIKRKMJNZ-QFIPXVFZSA-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