General Information of the Compound
| Compound ID |
CP0517539
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| Compound Name |
(4S)-4-(4-(1-(diethylamino)-1-oxobutan-2-yloxy)-6-phenylpicolinamido)-5-(4-(ethoxycarbonyl)piperazin-1-yl)-5-oxopentanoic acid
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| Structure |
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| Formula |
C32H43N5O8
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| Molecular Weight |
625.723
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| Canonical SMILES |
CCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC(CC)C(=O)N(CC)CC)cc(n1)-c1ccccc1
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| InChI |
InChI=1S/C32H43N5O8/c1-5-27(31(42)35(6-2)7-3)45-23-20-25(22-12-10-9-11-13-22)33-26(21-23)29(40)34-24(14-15-28(38)39)30(41)36-16-18-37(19-17-36)32(43)44-8-4/h9-13,20-21,24,27H,5-8,14-19H2,1-4H3,(H,34,40)(H,38,39)/t24-,27?/m0/s1
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| InChIKey |
UOFMHHLNQSQNBM-BXXZMZEQSA-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