General Information of the Compound
| Compound ID |
CP0045655
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| Compound Name |
2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione
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| Synonyms |
1,4-Naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-
2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione
2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
93718-83-3
AC1L66Q4
AC1Q6JAF
BSPBio_001155
CHEBI:93193
CHEMBL429095
CTK3I8111
DTXSID10294236
HMS3268C19
KBio2_000495
KBio2_003063
KBio2_005631
KBio3_000909
KBio3_000910
KBioGR_000495
KBioSS_000495
Lopac-N-1786
Lopac0_000629
MLS002153403
MolPort-003-958-936
NSC 95397
NSC-95397
NSC95397
SCHEMBL2530685
SMR001230781
SR-01000075930
Tocris-1547
cid_262093
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| Structure |
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| Formula |
C14H14O4S2
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| Molecular Weight |
310.396
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| Canonical SMILES |
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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| InChIKey |
MAASHDQFQDDECQ-UHFFFAOYSA-N
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| CAS |
93718-83-3
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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: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Protein ID: PT06109, Geminin
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000100 | U-937 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 3900 nM
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Clinical Information about the Compound