General Information of the Compound
| Compound ID |
CP0522055
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{[1-(methoxyacetyl)iperidin-4-yl]oxy}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid
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| Structure |
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| Formula |
C33H45N5O8
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| Molecular Weight |
639.75
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCN(COC)CC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C33H45N5O8/c1-3-4-20-45-33(43)38-18-16-37(17-19-38)32(42)27(10-11-30(39)40)35-31(41)29-22-26(21-28(34-29)24-8-6-5-7-9-24)46-25-12-14-36(15-13-25)23-44-2/h5-9,21-22,25,27H,3-4,10-20,23H2,1-2H3,(H,35,41)(H,39,40)/t27-/m0/s1
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| InChIKey |
UCULDTFOYJHMDA-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