General Information of the Compound
| Compound ID |
CP0456329
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| Compound Name |
(4S)-4-[[6-(benzylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C30H34N6O6
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| Molecular Weight |
574.638
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(NCc2ccccc2)nc(n1)-c1ccccc1
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| InChI |
InChI=1S/C30H34N6O6/c1-2-42-30(41)36-17-15-35(16-18-36)29(40)23(13-14-26(37)38)33-28(39)24-19-25(31-20-21-9-5-3-6-10-21)34-27(32-24)22-11-7-4-8-12-22/h3-12,19,23H,2,13-18,20H2,1H3,(H,33,39)(H,37,38)(H,31,32,34)/t23-/m0/s1
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| InChIKey |
YUNYABNGUKQYHF-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