General Information of the Compound
| Compound ID |
CP0453572
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-[({4-[(morpholin-4-ylcarbonyl)xy]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxopentanoic Acid
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| Structure |
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| Formula |
C31H39N5O9
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| Molecular Weight |
625.679
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C31H39N5O9/c1-2-3-17-44-30(41)35-13-11-34(12-14-35)29(40)24(9-10-27(37)38)33-28(39)26-21-23(45-31(42)36-15-18-43-19-16-36)20-25(32-26)22-7-5-4-6-8-22/h4-8,20-21,24H,2-3,9-19H2,1H3,(H,33,39)(H,37,38)/t24-/m0/s1
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| InChIKey |
YURHLZOCSFKDPN-DEOSSOPVSA-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