General Information of the Compound
| Compound ID |
CP0526342
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| Compound Name |
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(Cc4ccccn4)CC3)c2c1
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| InChI |
InChI=1S/C21H25N5O2/c27-18-4-5-20-19(13-18)16(14-24-20)6-8-23-21(28)26-11-9-25(10-12-26)15-17-3-1-2-7-22-17/h1-5,7,13-14,24,27H,6,8-12,15H2,(H,23,28)
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| InChIKey |
UNNCONODDKFEGJ-UHFFFAOYSA-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1