General Information of the Compound
| Compound ID |
CP0421852
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| Compound Name |
(4S)4-[({4-[(1-Isopropylpiperidin-4-yl)ethoxy]-6-phenylpyridin-2-yl}carbonyl)mino]-5-oxo-5-{4-[(pentyloxy)carbonyl]-piperazin-1-yl}pentanoic Acid
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| Structure |
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| Formula |
C36H51N5O7
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| Molecular Weight |
665.832
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(C)C)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C36H51N5O7/c1-4-5-9-22-47-36(46)41-20-18-40(19-21-41)35(45)30(12-13-33(42)43)38-34(44)32-24-29(23-31(37-32)28-10-7-6-8-11-28)48-25-27-14-16-39(17-15-27)26(2)3/h6-8,10-11,23-24,26-27,30H,4-5,9,12-22,25H2,1-3H3,(H,38,44)(H,42,43)/t30-/m0/s1
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| InChIKey |
GUBGDGVNPNXEAE-PMERELPUSA-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