General Information of the Compound
| Compound ID |
CP0502644
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| Compound Name |
(4S)5-{4-[(Ethylamino)carbonothioyl]piperazin-1-yl}-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid
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| Structure |
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| Formula |
C28H37N5O4S
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| Molecular Weight |
539.702
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| Canonical SMILES |
CCNC(=S)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H37N5O4S/c1-5-29-27(38)33-18-16-32(17-19-33)26(36)23(14-15-24(34)37-28(2,3)4)31-25(35)22-13-9-12-21(30-22)20-10-7-6-8-11-20/h6-13,23H,5,14-19H2,1-4H3,(H,29,38)(H,31,35)/t23-/m0/s1
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| InChIKey |
JUXPKYGQVQQPTJ-QHCPKHFHSA-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