General Information of the Compound
| Compound ID |
CP0405121
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| Compound Name |
2-((3S)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)nonyl)pyrrolidin-3-yl)-2,2-diphenylacetamide
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| Structure |
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| Formula |
C38H48N4O4
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| Molecular Weight |
624.826
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| Canonical SMILES |
NC(=O)C([C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C38H48N4O4/c39-37(46)38(28-14-8-6-9-15-28,29-16-10-7-11-17-29)30-22-25-42(27-30)24-13-5-3-1-2-4-12-23-40-26-34(44)31-18-20-33(43)36-32(31)19-21-35(45)41-36/h6-11,14-21,30,34,40,43-44H,1-5,12-13,22-27H2,(H2,39,46)(H,41,45)/t30-,34?/m1/s1
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| InChIKey |
SKQQIRNICDPYHD-AMLLJQFGSA-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