General Information of the Compound
| Compound ID |
CP0513912
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| Compound Name |
(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(2-propoxyethyl)piperazin-1-yl)picolinamido)pentanoic acid
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| Structure |
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| Formula |
C36H52N6O7
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| Molecular Weight |
680.847
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CCOCCC)CC1
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| InChI |
InChI=1S/C36H52N6O7/c1-3-5-9-24-49-36(47)42-20-18-41(19-21-42)35(46)30(12-13-33(43)44)38-34(45)32-27-29(26-31(37-32)28-10-7-6-8-11-28)40-16-14-39(15-17-40)22-25-48-23-4-2/h6-8,10-11,26-27,30H,3-5,9,12-25H2,1-2H3,(H,38,45)(H,43,44)/t30-/m0/s1
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| InChIKey |
IDWQNQBELOTRDC-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