General Information of the Compound
| Compound ID |
CP0509931
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| Compound Name |
Allyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
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| Structure |
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| Formula |
C20H26N6
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| Molecular Weight |
350.47
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| Canonical SMILES |
C=CCNC[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1
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| InChI |
InChI=1S/C20H26N6/c1-2-7-21-11-16-5-8-25(13-16)9-6-17-12-22-20-4-3-18(10-19(17)20)26-14-23-24-15-26/h2-4,10,12,14-16,21-22H,1,5-9,11,13H2/t16-/m0/s1
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| InChIKey |
FVGJPUJBOFFYDQ-INIZCTEOSA-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