General Information of the Compound
| Compound ID |
CP0463983
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| Compound Name |
(4S)5-[4-(Butoxycarbonyl)piperazin-1-yl]-4-{[(4-{4-[(dimethylamino)ethyl]piperidin-1-yl}-6-phenylpyridin-2-yl)carbonyl]amino}-5-oxopentanoic Acid
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| Structure |
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| Formula |
C34H48N6O6
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| Molecular Weight |
636.794
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| Canonical SMILES |
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(cc(n1)-c1ccccc1)N1CCC(CN(C)C)CC1
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| InChI |
InChI=1S/C34H48N6O6/c1-4-5-21-46-34(45)40-19-17-39(18-20-40)33(44)28(11-12-31(41)42)36-32(43)30-23-27(22-29(35-30)26-9-7-6-8-10-26)38-15-13-25(14-16-38)24-37(2)3/h6-10,22-23,25,28H,4-5,11-21,24H2,1-3H3,(H,36,43)(H,41,42)/t28-/m0/s1
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| InChIKey |
ZQBFJKVOQPLCOS-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