General Information of the Compound
| Compound ID |
CP0507733
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| Compound Name |
(S)-4-(4-(4-(3-(dimethylamino)propyl)piperazin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C36H53N7O6
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| Molecular Weight |
679.863
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CCCN(C)C)CC1
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| InChI |
InChI=1S/C36H53N7O6/c1-4-5-9-25-49-36(48)43-23-21-42(22-24-43)35(47)30(13-14-33(44)45)38-34(46)32-27-29(26-31(37-32)28-11-7-6-8-12-28)41-19-17-40(18-20-41)16-10-15-39(2)3/h6-8,11-12,26-27,30H,4-5,9-10,13-25H2,1-3H3,(H,38,46)(H,44,45)/t30-/m0/s1
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| InChIKey |
GYSJGWRPHHOVIU-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