General Information of the Compound
| Compound ID |
CP0550793
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C28H36N6O7
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| Molecular Weight |
568.631
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(nc(n1)-c1ccccc1)N1CC[C@@H](C1)OC
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| InChI |
InChI=1S/C28H36N6O7/c1-3-41-28(39)33-15-13-32(14-16-33)27(38)21(9-10-24(35)36)30-26(37)22-17-23(34-12-11-20(18-34)40-2)31-25(29-22)19-7-5-4-6-8-19/h4-8,17,20-21H,3,9-16,18H2,1-2H3,(H,30,37)(H,35,36)/t20-,21-/m0/s1
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| InChIKey |
IUIXGHGKGHGXST-SFTDATJTSA-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