General Information of the Compound
| Compound ID |
CP0511265
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| Compound Name |
3-[3-((R)-3-Benzyloxymethyl-pyrrolidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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| Structure |
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| Formula |
C25H29N5O
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| Molecular Weight |
415.541
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| Canonical SMILES |
C(CN1CC[C@@H](COCc2ccccc2)C1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
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| InChI |
InChI=1S/C25H29N5O/c1-2-5-20(6-3-1)16-31-17-21-10-12-29(15-21)11-4-7-22-14-26-25-9-8-23(13-24(22)25)30-18-27-28-19-30/h1-3,5-6,8-9,13-14,18-19,21,26H,4,7,10-12,15-17H2/t21-/m1/s1
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| InChIKey |
RPIIZOHGKJVOJT-OAQYLSRUSA-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