General Information of the Compound
| Compound ID |
CP0383855
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| Compound Name |
(S)-5-(4-(butoxycarbonyl)piperazin-1-yl)-4-(4-(4-(isopropylcarbamoyl)piperidin-1-yl)-6-phenylpicolinamido)-5-oxopentanoic acid
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| Structure |
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| Formula |
C35H48N6O7
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| Molecular Weight |
664.804
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CC1)C(=O)NC(C)C
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| InChI |
InChI=1S/C35H48N6O7/c1-4-5-21-48-35(47)41-19-17-40(18-20-41)34(46)28(11-12-31(42)43)38-33(45)30-23-27(22-29(37-30)25-9-7-6-8-10-25)39-15-13-26(14-16-39)32(44)36-24(2)3/h6-10,22-24,26,28H,4-5,11-21H2,1-3H3,(H,36,44)(H,38,45)(H,42,43)/t28-/m0/s1
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| InChIKey |
PAIVOHUBUGKRRP-NDEPHWFRSA-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