General Information of the Compound
| Compound ID |
CP0509344
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-(2-methoxyethoxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoicAcid
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| Structure |
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| Formula |
C29H38N4O8
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| Molecular Weight |
570.643
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCOC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C29H38N4O8/c1-3-4-16-41-29(38)33-14-12-32(13-15-33)28(37)23(10-11-26(34)35)31-27(36)25-20-22(40-18-17-39-2)19-24(30-25)21-8-6-5-7-9-21/h5-9,19-20,23H,3-4,10-18H2,1-2H3,(H,31,36)(H,34,35)/t23-/m0/s1
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| InChIKey |
PDNVGDXATCGRSB-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