General Information of the Compound
Compound ID |
CP0954013
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Compound Name |
(5R,11aS)-2-(3-Aminopropyl)-5-(4-fluorophenyl)-5,6,11,11atetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
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Structure |
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Formula |
C22H21FN4O2
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Molecular Weight |
392.434
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Canonical SMILES |
NCCCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(F)cc3)N2C1=O
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InChI |
InChI=1S/C22H21FN4O2/c23-14-8-6-13(7-9-14)20-19-16(15-4-1-2-5-17(15)25-19)12-18-21(28)26(11-3-10-24)22(29)27(18)20/h1-2,4-9,18,20,25H,3,10-12,24H2/t18-,20+/m0/s1
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InChIKey |
IBEPCZMPULYCBG-AZUAARDMSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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