General Information of the Compound
| Compound ID |
CP0513977
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| Compound Name |
N'-(3-bromophenyl)-N-cyano-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
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| Structure |
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| Formula |
C19H19BrN8
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| Molecular Weight |
439.321
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CCN(CC3)C(NC#N)=Nc3cccc(Br)c3)c12
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| InChI |
InChI=1S/C19H19BrN8/c1-13-10-22-17-16(13)18(25-12-24-17)27-5-7-28(8-6-27)19(23-11-21)26-15-4-2-3-14(20)9-15/h2-4,9-10,12H,5-8H2,1H3,(H,23,26)(H,22,24,25)
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| InChIKey |
KXDMWKDZFFHEHC-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