General Information of the Compound
| Compound ID |
CP0513919
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-(4-hydroxybutoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid
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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 |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCCO)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H40N4O8/c1-2-3-18-42-30(40)34-15-13-33(14-16-34)29(39)24(11-12-27(36)37)32-28(38)26-21-23(41-19-8-7-17-35)20-25(31-26)22-9-5-4-6-10-22/h4-6,9-10,20-21,24,35H,2-3,7-8,11-19H2,1H3,(H,32,38)(H,36,37)/t24-/m0/s1
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| InChIKey |
VWKAYLURWJVHDL-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