General Information of the Compound
| Compound ID |
CP0480334
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| Compound Name |
8-hydroxy-5-[(1R)-1-hydroxy-2-[2-[4-[4-(2-piperazin-1-ylethoxy)anilino]phenyl]ethylamino]ethyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C31H37N5O4
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| Molecular Weight |
543.668
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(Nc2ccc(OCCN3CCNCC3)cc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12
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| InChI |
InChI=1S/C31H37N5O4/c37-28-11-9-26(27-10-12-30(39)35-31(27)28)29(38)21-33-14-13-22-1-3-23(4-2-22)34-24-5-7-25(8-6-24)40-20-19-36-17-15-32-16-18-36/h1-12,29,32-34,37-38H,13-21H2,(H,35,39)/t29-/m0/s1
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| InChIKey |
RWBDYOUHRBKWMC-LJAQVGFWSA-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