General Information of the Compound
| Compound ID |
CP0517542
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| Compound Name |
(4S)5-[4-(3-Methylphenyl)piperazin-1-yl]-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoicAcid
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| Structure |
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| Formula |
C28H30N4O4
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| Molecular Weight |
486.572
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| Canonical SMILES |
Cc1cccc(c1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H30N4O4/c1-20-7-5-10-22(19-20)31-15-17-32(18-16-31)28(36)25(13-14-26(33)34)30-27(35)24-12-6-11-23(29-24)21-8-3-2-4-9-21/h2-12,19,25H,13-18H2,1H3,(H,30,35)(H,33,34)/t25-/m0/s1
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| InChIKey |
CBOXAYUNPHLTRB-VWLOTQADSA-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