General Information of the Compound
| Compound ID |
CP0514341
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)iperazin-1-yl]-4-({[4-(3-methoxypropoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid
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| Structure |
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| Formula |
C28H36N4O8
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| Molecular Weight |
556.616
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCCOC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H36N4O8/c1-3-39-28(37)32-14-12-31(13-15-32)27(36)22(10-11-25(33)34)30-26(35)24-19-21(40-17-7-16-38-2)18-23(29-24)20-8-5-4-6-9-20/h4-6,8-9,18-19,22H,3,7,10-17H2,1-2H3,(H,30,35)(H,33,34)/t22-/m0/s1
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| InChIKey |
ALRIXYXQZNUOPH-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