General Information of the Compound
| Compound ID |
CP0189728
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| Compound Name |
US9018211, 2A
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| Synonyms |
1(3H)-Isobenzofuranone, 5,5'-(1,4-piperazinediylbis((1R)-1-hydroxy-2,1-ethanediyl))bis(4-methyl-
1255204-84-2
5,5'-((1R,1'R)-Piperazine-1,4-diylbis(1-hydroxyethane-2,1-diyl))bis(4-methylisobenzofuran-1(3H)-one)
AKOS032946121
BDBM155921
CHEMBL3696475
CS-0007374
DB11968
HY-18277
M371870BYL
MK-7145
OCKGFTQIICXDQW-ZEQRLZLVSA-N
SCHEMBL2894681
UNII-M371870BYL
US9018211, 2A
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| Structure |
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| Formula |
C26H30N2O6
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| Molecular Weight |
466.534
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
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| InChI |
InChI=1S/C26H30N2O6/c1-15-17(3-5-19-21(15)13-33-25(19)31)23(29)11-27-7-9-28(10-8-27)12-24(30)18-4-6-20-22(16(18)2)14-34-26(20)32/h3-6,23-24,29-30H,7-14H2,1-2H3/t23-,24-/m0/s1
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| InChIKey |
OCKGFTQIICXDQW-ZEQRLZLVSA-N
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| CAS |
1255204-84-2
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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
Protein ID: PT03661, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound