General Information of the Compound
| Compound ID |
CP0510849
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| Compound Name |
(S)-4-(4-(4-(2-amino-2-oxoethyl)piperazin-1-yl)-6-phenylpicolinamido)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)pentanoic acid
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| Structure |
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| Formula |
C33H45N7O7
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| Molecular Weight |
651.765
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| Canonical SMILES |
CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCN(CC(N)=O)CC1
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| InChI |
InChI=1S/C33H45N7O7/c1-2-3-7-20-47-33(46)40-18-16-39(17-19-40)32(45)26(10-11-30(42)43)36-31(44)28-22-25(21-27(35-28)24-8-5-4-6-9-24)38-14-12-37(13-15-38)23-29(34)41/h4-6,8-9,21-22,26H,2-3,7,10-20,23H2,1H3,(H2,34,41)(H,36,44)(H,42,43)/t26-/m0/s1
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| InChIKey |
VYXLOYYJVXSXNT-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