General Information of the Compound
| Compound ID |
CP0529663
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| Compound Name |
4-N-[2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]ethyl]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C14H22N8
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| Molecular Weight |
302.386
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| Canonical SMILES |
CC(C)CNc1cc(NCCNc2ccnc(N)n2)ncn1
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| InChI |
InChI=1S/C14H22N8/c1-10(2)8-19-13-7-12(20-9-21-13)17-6-5-16-11-3-4-18-14(15)22-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H3,15,16,18,22)(H2,17,19,20,21)
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| InChIKey |
UROJMCFHZJYHCP-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