General Information of the Compound
| Compound ID |
CP0384018
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| Compound Name |
1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-butyl)-piperazine; hydrochloride
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| Structure |
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| Formula |
C22H28N2O2
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| Molecular Weight |
352.478
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| Canonical SMILES |
C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
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| InChI |
InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2
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| InChIKey |
ZKRPGPXPNMTYOU-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