General Information of the Compound
| Compound ID |
CP0479976
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| Compound Name |
1-(2-(5-Hydroxy-1H-indol-2-yl)ethyl)-3-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]urea
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| Structure |
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| Formula |
C21H31N3O2
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| Molecular Weight |
357.498
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)NCCc1cc2cc(O)ccc2[nH]1
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| InChI |
InChI=1S/C21H31N3O2/c1-13(2)18-6-4-14(3)10-20(18)24-21(26)22-9-8-16-11-15-12-17(25)5-7-19(15)23-16/h5,7,11-14,18,20,23,25H,4,6,8-10H2,1-3H3,(H2,22,24,26)/t14-,18+,20-/m1/s1
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| InChIKey |
LYSKZSZXKTWRSM-HEFCMCLBSA-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: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1