General Information of the Compound
| Compound ID |
CP0506339
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| Compound Name |
(4S)5-[4-(3-Methylphenyl)piperazin-1-yl]-5-oxo-4-[(1,1':3',1''-terphenyl-5'-ylcarbonyl)amino]pentanoic Acid
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| Structure |
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| Formula |
C35H35N3O4
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| Molecular Weight |
561.682
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| Canonical SMILES |
Cc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(c1)-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C35H35N3O4/c1-25-9-8-14-31(21-25)37-17-19-38(20-18-37)35(42)32(15-16-33(39)40)36-34(41)30-23-28(26-10-4-2-5-11-26)22-29(24-30)27-12-6-3-7-13-27/h2-14,21-24,32H,15-20H2,1H3,(H,36,41)(H,39,40)/t32-/m0/s1
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| InChIKey |
HRHFPPMGKJJEKB-YTTGMZPUSA-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