General Information of the Compound
| Compound ID |
CP0430688
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| Compound Name |
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
Oc1ccc2[nH]cc(CCNC(=O)N3CCN(Cc4ccc5ccccc5n4)CC3)c2c1
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| InChI |
InChI=1S/C25H27N5O2/c31-21-7-8-24-22(15-21)19(16-27-24)9-10-26-25(32)30-13-11-29(12-14-30)17-20-6-5-18-3-1-2-4-23(18)28-20/h1-8,15-16,27,31H,9-14,17H2,(H,26,32)
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| InChIKey |
SWLPZDSHBZDWFT-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