General Information of the Compound
| Compound ID |
CP0400194
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| Compound Name |
[4-(2-benzhydryloxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C28H29N3O2
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| Molecular Weight |
439.559
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| Canonical SMILES |
O=C(N1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1cc2ccccc2[nH]1
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| InChI |
InChI=1S/C28H29N3O2/c32-28(26-21-24-13-7-8-14-25(24)29-26)31-17-15-30(16-18-31)19-20-33-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,27,29H,15-20H2
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| InChIKey |
IDNLJMLLYBSJEB-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: PT01206, Histamine H1 receptor
Protein ID: PT01711, Histamine H4 receptor