General Information of the Compound
| Compound ID |
CP0516576
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| Compound Name |
4-(3-methoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
COc1cccc(c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C27H37N3O2/c1-32-24-12-8-11-23(21-24)30-19-17-29(18-20-30)16-6-2-3-15-27(31)28-26-14-7-10-22-9-4-5-13-25(22)26/h4-5,8-9,11-13,21,26H,2-3,6-7,10,14-20H2,1H3,(H,28,31)
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| InChIKey |
WCZRYYATBVEMRV-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