General Information of the Compound
| Compound ID |
CP0270534
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| Compound Name |
ethyl (2S)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-[(6-methoxynaphthalene-2-carbonyl)amino]-5-oxopentanoate
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| Structure |
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| Formula |
C33H41N3O5
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| Molecular Weight |
559.707
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| Canonical SMILES |
CCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)c1ccc2cc(OC)ccc2c1
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| InChI |
InChI=1S/C33H41N3O5/c1-3-41-33(39)30(35-32(38)28-10-9-27-22-29(40-2)12-11-26(27)21-28)13-14-31(37)34-18-15-24-16-19-36(20-17-24)23-25-7-5-4-6-8-25/h4-12,21-22,24,30H,3,13-20,23H2,1-2H3,(H,34,37)(H,35,38)/t30-/m0/s1
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| InChIKey |
WRHFBOQIYDLZNC-PMERELPUSA-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