General Information of the Compound
| Compound ID |
CP0480710
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(2-hydroxypropan-2-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C26H33N5O7
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| Molecular Weight |
527.578
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C(C)(C)O
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| InChI |
InChI=1S/C26H33N5O7/c1-4-38-25(36)31-14-12-30(13-15-31)24(35)18(10-11-21(32)33)28-23(34)19-16-20(26(2,3)37)29-22(27-19)17-8-6-5-7-9-17/h5-9,16,18,37H,4,10-15H2,1-3H3,(H,28,34)(H,32,33)/t18-/m0/s1
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| InChIKey |
NPBPXVCRWFBKIY-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