General Information of the Compound
| Compound ID |
CP0526316
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| Compound Name |
(4S)5-Oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}-5-{4-[(propylamino)carbonyl]piperazin-1-yl}pentanoic acid
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| Structure |
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| Formula |
C29H39N5O5
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| Molecular Weight |
537.661
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| Canonical SMILES |
CCCNC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H39N5O5/c1-5-16-30-28(38)34-19-17-33(18-20-34)27(37)24(14-15-25(35)39-29(2,3)4)32-26(36)23-13-9-12-22(31-23)21-10-7-6-8-11-21/h6-13,24H,5,14-20H2,1-4H3,(H,30,38)(H,32,36)/t24-/m0/s1
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| InChIKey |
YWIZNCSZRAZIHI-DEOSSOPVSA-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