General Information of the Compound
| Compound ID |
CP0481999
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methoxyphenyl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C30H33N5O7
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| Molecular Weight |
575.622
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C30H33N5O7/c1-3-42-30(40)35-17-15-34(16-18-35)29(39)23(13-14-26(36)37)33-28(38)25-19-24(20-9-11-22(41-2)12-10-20)31-27(32-25)21-7-5-4-6-8-21/h4-12,19,23H,3,13-18H2,1-2H3,(H,33,38)(H,36,37)/t23-/m0/s1
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| InChIKey |
WEAALMVORVRXSQ-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