General Information of the Compound
| Compound ID |
CP0046140
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| Compound Name |
2-(6-(1,4-diazepan-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
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| Structure |
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| Formula |
C13H15N7S
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| Molecular Weight |
301.379
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| Canonical SMILES |
N#Cc1cnc(Nc2cc(ncn2)N2CCCNCC2)s1
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| InChI |
InChI=1S/C13H15N7S/c14-7-10-8-16-13(21-10)19-11-6-12(18-9-17-11)20-4-1-2-15-3-5-20/h6,8-9,15H,1-5H2,(H,16,17,18,19)
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| InChIKey |
BELRYHSQDZCWBA-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