General Information of the Compound
| Compound ID |
CP0526287
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| Compound Name |
4-(5-methoxybenzoxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-piperazinehexanamide
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| Structure |
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| Formula |
C28H36N4O3
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| Molecular Weight |
476.621
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| Canonical SMILES |
COc1ccc2oc(nc2c1)N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
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| InChI |
InChI=1S/C28H36N4O3/c1-34-22-13-14-26-25(20-22)30-28(35-26)32-18-16-31(17-19-32)15-6-2-3-12-27(33)29-24-11-7-9-21-8-4-5-10-23(21)24/h4-5,8,10,13-14,20,24H,2-3,6-7,9,11-12,15-19H2,1H3,(H,29,33)
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| InChIKey |
PDMXKEVFPXDRTD-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