General Information of the Compound
| Compound ID |
CP0571592
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| Compound Name |
2-amino-4-(4-methylpiperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C12H15N7
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| Molecular Weight |
257.301
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| Canonical SMILES |
CN1CCN(CC1)c1nc(N)nc2[nH]cc(C#N)c12
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| InChI |
InChI=1S/C12H15N7/c1-18-2-4-19(5-3-18)11-9-8(6-13)7-15-10(9)16-12(14)17-11/h7H,2-5H2,1H3,(H3,14,15,16,17)
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| InChIKey |
HXSZYRBOHVICQP-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