General Information of the Compound
| Compound ID |
CP0533226
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| Compound Name |
(S)-4-(4-(3-(ethylcarbamoyl)azetidin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C33H44N6O7
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| Molecular Weight |
636.75
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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)C(=O)NCC
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| InChI |
InChI=1S/C33H44N6O7/c1-3-5-9-18-46-33(45)38-16-14-37(15-17-38)32(44)26(12-13-29(40)41)36-31(43)28-20-25(39-21-24(22-39)30(42)34-4-2)19-27(35-28)23-10-7-6-8-11-23/h6-8,10-11,19-20,24,26H,3-5,9,12-18,21-22H2,1-2H3,(H,34,42)(H,36,43)(H,40,41)/t26-/m0/s1
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| InChIKey |
NYTPZYAGXPXEFR-SANMLTNESA-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