General Information of the Compound
| Compound ID |
CP0384277
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-({[4-({[methyl-(tetrahydrofuran-3-yl)mino]carbonyl}oxy)6-phenylpyridin-2-yl]carbonyl}amino)5-oxopentanoic Acid
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| Structure |
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| Formula |
C32H41N5O9
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| Molecular Weight |
639.706
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(=O)N(C)C2CCOC2)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H41N5O9/c1-3-4-17-45-32(43)37-15-13-36(14-16-37)30(41)25(10-11-28(38)39)34-29(40)27-20-24(19-26(33-27)22-8-6-5-7-9-22)46-31(42)35(2)23-12-18-44-21-23/h5-9,19-20,23,25H,3-4,10-18,21H2,1-2H3,(H,34,40)(H,38,39)/t23?,25-/m0/s1
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| InChIKey |
PBZOXXWHZOXBJU-YNMFNDETSA-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