General Information of the Compound
| Compound ID |
CP0424536
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-4-[(2-phenyl-6-thiophen-3-ylpyrimidine-4-carbonyl)amino]pentanoic acid
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| Structure |
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| Formula |
C27H29N5O6S
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| Molecular Weight |
551.625
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccsc1
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| InChI |
InChI=1S/C27H29N5O6S/c1-2-38-27(37)32-13-11-31(12-14-32)26(36)20(8-9-23(33)34)30-25(35)22-16-21(19-10-15-39-17-19)28-24(29-22)18-6-4-3-5-7-18/h3-7,10,15-17,20H,2,8-9,11-14H2,1H3,(H,30,35)(H,33,34)/t20-/m0/s1
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| InChIKey |
MZJBTSWSBMERIZ-FQEVSTJZSA-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