General Information of the Compound
| Compound ID |
CP0386413
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| Compound Name |
1-(4-Hydroxy-3-methoxybenzyl)-3-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]urea
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| Structure |
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| Formula |
C19H30N2O3
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| Molecular Weight |
334.46
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| Canonical SMILES |
COc1cc(CNC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O
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| InChI |
InChI=1S/C19H30N2O3/c1-12(2)15-7-5-13(3)9-16(15)21-19(23)20-11-14-6-8-17(22)18(10-14)24-4/h6,8,10,12-13,15-16,22H,5,7,9,11H2,1-4H3,(H2,20,21,23)/t13-,15+,16-/m1/s1
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| InChIKey |
CJWPIYNBDPZTMW-VNQPRFMTSA-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