General Information of the Compound
| Compound ID |
CP0523991
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)iperazin-1-yl]-4-({[4-({[methyl-(tetrahydro-2H-pyran-4-ylmethyl)mino]carbonyl}oxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoic Acid
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| Structure |
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| Formula |
C34H45N5O9
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| Molecular Weight |
667.76
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)CC2CCOCC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C34H45N5O9/c1-3-4-18-47-34(45)39-16-14-38(15-17-39)32(43)27(10-11-30(40)41)36-31(42)29-22-26(21-28(35-29)25-8-6-5-7-9-25)48-33(44)37(2)23-24-12-19-46-20-13-24/h5-9,21-22,24,27H,3-4,10-20,23H2,1-2H3,(H,36,42)(H,40,41)/t27-/m0/s1
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| InChIKey |
GIWMFOQIOHWAEF-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