General Information of the Compound
| Compound ID |
CP0862801
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| Compound Name |
8-(2-aminomethyl-thiazol-4-yl)-1,2,3,11-tetrahydro-5,11-diaza-benzo[a]trindene-4,6-dione hydrobromide
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| Structure |
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| Formula |
C21H17BrN4O2S
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| Molecular Weight |
469.364
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| Canonical SMILES |
Br.NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1
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| InChI |
InChI=1S/C21H16N4O2S.BrH/c22-7-15-23-14(8-28-15)9-4-5-13-12(6-9)16-18-17(20(26)25-21(18)27)10-2-1-3-11(10)19(16)24-13;/h4-6,8,24H,1-3,7,22H2,(H,25,26,27);1H
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| InChIKey |
VTBYZIIXTIIPTO-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