General Information of the Compound
| Compound ID |
CP0633608
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| Compound Name |
6-Iodo-4-{[4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-phenylamino]-methylene}-4H-isoquinoline-1,3-dione
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| Formula |
C22H21IN4O2
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| Molecular Weight |
500.34
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| Canonical SMILES |
CN1CC2CC1CN2c1ccc(N/C=C2\C(=O)NC(=O)c3ccc(I)cc32)cc1
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| InChI |
InChI=1S/C22H21IN4O2/c1-26-11-17-9-16(26)12-27(17)15-5-3-14(4-6-15)24-10-20-19-8-13(23)2-7-18(19)21(28)25-22(20)29/h2-8,10,16-17,24H,9,11-12H2,1H3,(H,25,28,29)/b20-10-
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| InChIKey |
YTKPRFGZAQKROC-JMIUGGIZSA-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