General Information of the Compound
| Compound ID |
CP0367712
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| Compound Name |
1-(2-morpholino-1-phenylethyl)-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C30H36F3N5O2
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| Molecular Weight |
555.645
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(CN2CCOCC2)c2ccccc2)c1
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| InChI |
InChI=1S/C30H36F3N5O2/c31-30(32,33)25-6-8-27(9-7-25)38-15-10-23(21-38)20-36-13-11-26(12-14-36)34-29(39)35-28(24-4-2-1-3-5-24)22-37-16-18-40-19-17-37/h1-10,15,21,26,28H,11-14,16-20,22H2,(H2,34,35,39)
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| InChIKey |
LXXCGDJSCVIHPJ-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2