General Information of the Compound
| Compound ID |
CP0398866
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| Compound Name |
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(4-methylpyrazol-1-yl)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C27H31N7O6
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| Molecular Weight |
549.588
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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)cn1
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| InChI |
InChI=1S/C27H31N7O6/c1-3-40-27(39)33-13-11-32(12-14-33)26(38)20(9-10-23(35)36)30-25(37)21-15-22(34-17-18(2)16-28-34)31-24(29-21)19-7-5-4-6-8-19/h4-8,15-17,20H,3,9-14H2,1-2H3,(H,30,37)(H,35,36)/t20-/m0/s1
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| InChIKey |
ZEOWWHXLEMDDPE-FQEVSTJZSA-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