General Information of the Compound
| Compound ID |
CP0411222
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| Compound Name |
5-[(1R)-2-[2-[4-[4-[2-(2-aminoethoxy)ethoxy]anilino]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
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| Structure |
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| Formula |
C29H34N4O5
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| Molecular Weight |
518.614
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| Canonical SMILES |
NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1
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| InChI |
InChI=1S/C29H34N4O5/c30-14-16-37-17-18-38-23-7-5-22(6-8-23)32-21-3-1-20(2-4-21)13-15-31-19-27(35)24-9-11-26(34)29-25(24)10-12-28(36)33-29/h1-12,27,31-32,34-35H,13-19,30H2,(H,33,36)/t27-/m0/s1
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| InChIKey |
ZVWLZBKDMMRTNF-MHZLTWQESA-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