General Information of the Compound
| Compound ID |
CP0433903
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| Compound Name |
4-(4-methyl-1,4-diazepan-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C12H18N6
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| Molecular Weight |
246.318
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| Canonical SMILES |
CN1CCCN(CC1)c1nc(N)nc2[nH]ccc12
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| InChI |
InChI=1S/C12H18N6/c1-17-5-2-6-18(8-7-17)11-9-3-4-14-10(9)15-12(13)16-11/h3-4H,2,5-8H2,1H3,(H3,13,14,15,16)
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| InChIKey |
SUCQRXUPCXTVSO-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