General Information of the Compound
| Compound ID |
CP0439753
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| Compound Name |
(S)-5-(4-((2-cyclopentylethoxy)carbonyl)piperazin-1-yl)-4-(4-(4-hydroxypiperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C34H45N5O7
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| Molecular Weight |
635.762
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| Canonical SMILES |
OC1CCN(CC1)c1cc(nc(c1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)C(=O)OCCC1CCCC1
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| InChI |
InChI=1S/C34H45N5O7/c40-27-12-15-37(16-13-27)26-22-29(25-8-2-1-3-9-25)35-30(23-26)32(43)36-28(10-11-31(41)42)33(44)38-17-19-39(20-18-38)34(45)46-21-14-24-6-4-5-7-24/h1-3,8-9,22-24,27-28,40H,4-7,10-21H2,(H,36,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
KPFPHFVJOXSCGU-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