General Information of the Compound
| Compound ID |
CP0481518
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| Compound Name |
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-({[6-phenyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridin-2-yl]carbonyl}amino)pentanoic Acid
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| Structure |
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| Formula |
C33H44N6O6
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| Molecular Weight |
620.751
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)N1CCCC1
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| InChI |
InChI=1S/C33H44N6O6/c1-2-45-33(44)39-20-18-38(19-21-39)32(43)27(10-11-30(40)41)35-31(42)29-23-26(22-28(34-29)24-8-4-3-5-9-24)37-16-12-25(13-17-37)36-14-6-7-15-36/h3-5,8-9,22-23,25,27H,2,6-7,10-21H2,1H3,(H,35,42)(H,40,41)/t27-/m0/s1
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| InChIKey |
TYSPZJVREGKCIO-MHZLTWQESA-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