General Information of the Compound
| Compound ID |
CP0452878
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| Compound Name |
3-acetamido-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C24H30F3N5O2
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| Molecular Weight |
477.531
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| Canonical SMILES |
CC(=O)NC1CCN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C24H30F3N5O2/c1-17(33)28-21-9-13-32(16-21)23(34)29-20-7-10-30(11-8-20)14-18-6-12-31(15-18)22-4-2-19(3-5-22)24(25,26)27/h2-6,12,15,20-21H,7-11,13-14,16H2,1H3,(H,28,33)(H,29,34)
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| InChIKey |
IWQLUWIJBUWZLC-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