General Information of the Compound
| Compound ID |
CP0497097
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[1-(methoxyacetyl)piperidin-4-yl]methoxy}-6-phenylpyridin-2-yl)carbonyl]-amino}-5-oxopentanoic Acid
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| Structure |
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| Formula |
C35H47N5O9
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| Molecular Weight |
681.787
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OCC2CCN(CC2)C(=O)COC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C35H47N5O9/c1-3-4-20-48-35(46)40-18-16-39(17-19-40)34(45)28(10-11-32(42)43)37-33(44)30-22-27(21-29(36-30)26-8-6-5-7-9-26)49-23-25-12-14-38(15-13-25)31(41)24-47-2/h5-9,21-22,25,28H,3-4,10-20,23-24H2,1-2H3,(H,37,44)(H,42,43)/t28-/m0/s1
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| InChIKey |
IHQCKUDRSVXBPN-NDEPHWFRSA-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