General Information of the Compound
| Compound ID |
CP0401970
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| Compound Name |
(S)-4-(4-(3-methoxyazetidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C31H41N5O7
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| Molecular Weight |
595.697
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CC(C1)OC
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| InChI |
InChI=1S/C31H41N5O7/c1-3-4-8-17-43-31(41)35-15-13-34(14-16-35)30(40)25(11-12-28(37)38)33-29(39)27-19-23(36-20-24(21-36)42-2)18-26(32-27)22-9-6-5-7-10-22/h5-7,9-10,18-19,24-25H,3-4,8,11-17,20-21H2,1-2H3,(H,33,39)(H,37,38)/t25-/m0/s1
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| InChIKey |
IYVMXLDBNHAFQD-VWLOTQADSA-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