General Information of the Compound
| Compound ID |
CP0012007
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| Compound Name |
14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one
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| Synonyms |
1q3w
237430-03-4
9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE
9-Nitro-7,12-dihydroindolo-[3,2-d][1]benzazepin-6(5)-one
9-Nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
9-Nitropaullone
9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
AC1NMCUD
Alsterpaullone
Alsterpaullone derivative, 2
BDBM7262
BDBM84528
CBiol_001723
CHEMBL50894
CTK8F0374
DTXSID50407444
GTPL5925
Kinome_3754
Lopac0_000057
MLS002702475
NSC 705701
NSC-705701
Paullone Analog 1
SCHEMBL2170104
ZINC23894
alsterpaullone
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| Structure |
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| Formula |
C16H11N3O3
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| Molecular Weight |
293.282
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| Canonical SMILES |
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
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| InChI |
InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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| InChIKey |
OLUKILHGKRVDCT-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
Protein ID: PT06109, Geminin
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Clinical Information about the Compound