General Information of the Compound
| Compound ID |
CP0497451
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| Compound Name |
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole
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| Structure |
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| Formula |
C24H29N3O2
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| Molecular Weight |
391.515
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| Canonical SMILES |
C(CCc1c[nH]c2ccccc12)CN1CCN(CC1)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C24H29N3O2/c1-2-7-22-21(6-1)19(18-25-22)5-3-4-10-26-11-13-27(14-12-26)20-8-9-23-24(17-20)29-16-15-28-23/h1-2,6-9,17-18,25H,3-5,10-16H2
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| InChIKey |
DTDAFQBYHBDFSS-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