General Information of the Compound
| Compound ID |
CP0378652
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| Compound Name |
8-hydroxy-5-[(1R)-1-hydroxy-2-[2-[4-[4-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]anilino]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C32H39N5O6S
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| Molecular Weight |
621.76
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| Canonical SMILES |
CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1
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| InChI |
InChI=1S/C32H39N5O6S/c1-44(41,42)37-18-16-36(17-19-37)20-21-43-26-8-6-25(7-9-26)34-24-4-2-23(3-5-24)14-15-33-22-30(39)27-10-12-29(38)32-28(27)11-13-31(40)35-32/h2-13,30,33-34,38-39H,14-22H2,1H3,(H,35,40)/t30-/m0/s1
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| InChIKey |
RIXSFNWLADAXSB-PMERELPUSA-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