General Information of the Compound
| Compound ID |
CP0406034
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| Compound Name |
N-(furan-3-ylmethyl)-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
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| Structure |
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| Formula |
C22H26N6O
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| Molecular Weight |
390.491
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| Canonical SMILES |
C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@@H](CNCc2ccoc2)C1
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| InChI |
InChI=1S/C22H26N6O/c1-2-22-21(9-20(1)28-15-25-26-16-28)19(12-24-22)4-7-27-6-3-17(13-27)10-23-11-18-5-8-29-14-18/h1-2,5,8-9,12,14-17,23-24H,3-4,6-7,10-11,13H2/t17-/m0/s1
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| InChIKey |
JRKHYIHTLFNPGD-KRWDZBQOSA-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