General Information of the Compound
| Compound ID |
CP0404742
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| Compound Name |
1-((1-hydroxycyclohexyl)methyl)-1-methyl-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 |
C26H35F3N4O2
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| Molecular Weight |
492.586
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| Canonical SMILES |
CN(CC1(O)CCCCC1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C26H35F3N4O2/c1-31(19-25(35)12-3-2-4-13-25)24(34)30-22-10-14-32(15-11-22)17-20-9-16-33(18-20)23-7-5-21(6-8-23)26(27,28)29/h5-9,16,18,22,35H,2-4,10-15,17,19H2,1H3,(H,30,34)
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| InChIKey |
RQQIFDGCFKRDKP-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