General Information of the Compound
| Compound ID |
CP0439754
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| Compound Name |
(S)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-4-(4-(methyl(2-(methylsulfonyl)ethyl)amino)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H37N5O8S
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| Molecular Weight |
603.698
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N(C)CCS(C)(=O)=O
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| InChI |
InChI=1S/C28H37N5O8S/c1-4-41-28(38)33-14-12-32(13-15-33)27(37)22(10-11-25(34)35)30-26(36)24-19-21(31(2)16-17-42(3,39)40)18-23(29-24)20-8-6-5-7-9-20/h5-9,18-19,22H,4,10-17H2,1-3H3,(H,30,36)(H,34,35)/t22-/m0/s1
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| InChIKey |
ULGIOSKVPLKNFG-QFIPXVFZSA-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