General Information of the Compound
| Compound ID |
CP0553682
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| Compound Name |
(2S)-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-2-[(6-methoxynaphthalene-2-carbonyl)amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C31H37N3O5
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| Molecular Weight |
531.653
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)C(=O)N[C@@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)C(O)=O
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| InChI |
InChI=1S/C31H37N3O5/c1-39-27-10-9-24-19-26(8-7-25(24)20-27)30(36)33-28(31(37)38)11-12-29(35)32-16-13-22-14-17-34(18-15-22)21-23-5-3-2-4-6-23/h2-10,19-20,22,28H,11-18,21H2,1H3,(H,32,35)(H,33,36)(H,37,38)/t28-/m0/s1
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| InChIKey |
NHVWEFCFXBVOSE-NDEPHWFRSA-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