General Information of the Compound
| Compound ID |
CP0387958
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| Compound Name |
(4-cyclobutylpiperazin-1-yl)(2-(morpholine-4-carbonyl)-1-(2,2,2-trifluoroethyl)-1H-indol-5-yl)methanone
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| Structure |
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| Formula |
C24H29F3N4O3
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| Molecular Weight |
478.515
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| Canonical SMILES |
FC(F)(F)Cn1c(cc2cc(ccc12)C(=O)N1CCN(CC1)C1CCC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C24H29F3N4O3/c25-24(26,27)16-31-20-5-4-17(22(32)29-8-6-28(7-9-29)19-2-1-3-19)14-18(20)15-21(31)23(33)30-10-12-34-13-11-30/h4-5,14-15,19H,1-3,6-13,16H2
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| InChIKey |
JYHISTRLDOWQMN-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor