General Information of the Compound
| Compound ID |
CP0123702
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| Compound Name |
3-(2-hydroxyethyl)-20-methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
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| Synonyms |
2-Methoxy-12-(2-hydroxyethyl)-13,14-dihydronaphthol[2,1-a]pyrrolo[3,4-c]carbazole-5-one
5-oxo dihydronaphthylcarbazole analogue, 14
BDBM24947
C25H22N2O3
CEP-5104
CHEMBL460989
SCHEMBL3264941
X7364
ZINC40861910
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| Structure |
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| Formula |
C25H22N2O3
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| Molecular Weight |
398.462
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| Canonical SMILES |
COc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
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| InChI |
InChI=1S/C25H22N2O3/c1-30-15-7-9-16-14(12-15)6-8-18-21(16)23-19(13-26-25(23)29)22-17-4-2-3-5-20(17)27(10-11-28)24(18)22/h2-5,7,9,12,28H,6,8,10-11,13H2,1H3,(H,26,29)
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| InChIKey |
QMLALHXGVBGFIC-UHFFFAOYSA-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
Clinical Information about the Compound
Drug 1 ( CEP-5104 )
| Drug Name | CEP-5104 | ||
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