General Information of the Compound
| Compound ID |
CP0535488
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| Compound Name |
4-(4-methyl-1,4-diazepan-1-yl)-6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C18H22N6
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| Molecular Weight |
322.416
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| Canonical SMILES |
CN1CCCN(CC1)c1nc(N)nc2[nH]c(cc12)-c1ccccc1
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| InChI |
InChI=1S/C18H22N6/c1-23-8-5-9-24(11-10-23)17-14-12-15(13-6-3-2-4-7-13)20-16(14)21-18(19)22-17/h2-4,6-7,12H,5,8-11H2,1H3,(H3,19,20,21,22)
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| InChIKey |
NXYYLCZMJKQERA-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