General Information of the Compound
| Compound ID |
CP0537587
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| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(6-(2-methoxyethoxy)-2-phenylpyrimidine-4-carboxamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H37N5O8
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| Molecular Weight |
571.631
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCCOC)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H37N5O8/c1-3-4-16-41-28(38)33-14-12-32(13-15-33)27(37)21(10-11-24(34)35)30-26(36)22-19-23(40-18-17-39-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,19,21H,3-4,10-18H2,1-2H3,(H,30,36)(H,34,35)/t21-/m0/s1
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| InChIKey |
VVJJQYSCEBVDHE-NRFANRHFSA-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