General Information of the Compound
| Compound ID |
CP0455420
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| Compound Name |
(4S)4-({[4-(2-Methoxyethoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C30H40N4O8
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| Molecular Weight |
584.67
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCOC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H40N4O8/c1-3-4-8-17-42-30(39)34-15-13-33(14-16-34)29(38)24(11-12-27(35)36)32-28(37)26-21-23(41-19-18-40-2)20-25(31-26)22-9-6-5-7-10-22/h5-7,9-10,20-21,24H,3-4,8,11-19H2,1-2H3,(H,32,37)(H,35,36)/t24-/m0/s1
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| InChIKey |
KDHTWIHDCLTOLE-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