General Information of the Compound
| Compound ID |
CP0497027
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| Compound Name |
4-(2,5-dimethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C28H39N3O3
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| Molecular Weight |
465.638
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| Canonical SMILES |
COc1ccc(OC)c(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C28H39N3O3/c1-33-23-14-15-27(34-2)26(21-23)31-19-17-30(18-20-31)16-7-3-4-13-28(32)29-25-12-8-10-22-9-5-6-11-24(22)25/h5-6,9,11,14-15,21,25H,3-4,7-8,10,12-13,16-20H2,1-2H3,(H,29,32)
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| InChIKey |
HBXLJWDMQIUMDH-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