General Information of the Compound
| Compound ID |
CP0545720
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| Compound Name |
(S)-4-(4-(4-(aminomethyl)piperidin-1-yl)-6-phenylpicolinamido)-5-(4-((2-cyclopentylethoxy)carbonyl)piperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C35H48N6O6
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| Molecular Weight |
648.805
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| Canonical SMILES |
NCC1CCN(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/C35H48N6O6/c36-24-26-12-15-39(16-13-26)28-22-30(27-8-2-1-3-9-27)37-31(23-28)33(44)38-29(10-11-32(42)43)34(45)40-17-19-41(20-18-40)35(46)47-21-14-25-6-4-5-7-25/h1-3,8-9,22-23,25-26,29H,4-7,10-21,24,36H2,(H,38,44)(H,42,43)/t29-/m0/s1
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| InChIKey |
FZWFTTQDIUWUHE-LJAQVGFWSA-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