General Information of the Compound
| Compound ID |
CP0407600
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| Compound Name |
N,N-diethyl-1-[2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C29H39F3N4O2
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| Molecular Weight |
532.651
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| Canonical SMILES |
CCN(CC)C(=O)C1CCCN(C1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H39F3N4O2/c1-3-34(4-2)28(38)24-6-5-14-36(21-24)27(37)18-22-11-15-33(16-12-22)19-23-13-17-35(20-23)26-9-7-25(8-10-26)29(30,31)32/h7-10,13,17,20,22,24H,3-6,11-12,14-16,18-19,21H2,1-2H3
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| InChIKey |
ZSCCDIZJMUBHJP-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