General Information of the Compound
| Compound ID |
CP0456327
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| Compound Name |
(4S)-4-[(6-cyclopropyl-2-phenylpyrimidine-4-carbonyl)amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C26H31N5O6
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| Molecular Weight |
509.563
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)C1CC1
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| InChI |
InChI=1S/C26H31N5O6/c1-2-37-26(36)31-14-12-30(13-15-31)25(35)19(10-11-22(32)33)29-24(34)21-16-20(17-8-9-17)27-23(28-21)18-6-4-3-5-7-18/h3-7,16-17,19H,2,8-15H2,1H3,(H,29,34)(H,32,33)/t19-/m0/s1
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| InChIKey |
WBKBPGYCKHPURA-IBGZPJMESA-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