General Information of the Compound
| Compound ID |
CP0513938
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| Compound Name |
(S)Ethyl 4-{4-Carboxy-2-[(4-phenylpyrimidine-2-carbonyl)amino]butyryl}piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H27N5O6
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| Molecular Weight |
469.498
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1nccc(n1)-c1ccccc1
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| InChI |
InChI=1S/C23H27N5O6/c1-2-34-23(33)28-14-12-27(13-15-28)22(32)18(8-9-19(29)30)26-21(31)20-24-11-10-17(25-20)16-6-4-3-5-7-16/h3-7,10-11,18H,2,8-9,12-15H2,1H3,(H,26,31)(H,29,30)/t18-/m0/s1
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| InChIKey |
XYNRGTGKHBEFCQ-SFHVURJKSA-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