General Information of the Compound
| Compound ID |
CP0439240
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| Compound Name |
(S)-4-(6-(2-hydroxyethylthio)-2-phenylpyrimidine-4-carboxamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C28H37N5O7S
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| Molecular Weight |
587.699
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(SCCO)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C28H37N5O7S/c1-2-3-7-17-40-28(39)33-14-12-32(13-15-33)27(38)21(10-11-24(35)36)30-26(37)22-19-23(41-18-16-34)31-25(29-22)20-8-5-4-6-9-20/h4-6,8-9,19,21,34H,2-3,7,10-18H2,1H3,(H,30,37)(H,35,36)/t21-/m0/s1
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| InChIKey |
BHRRQKCXMMILKK-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