General Information of the Compound
| Compound ID |
CP0518358
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| Compound Name |
[3-(6-amino-2-methylpurin-9-yl)azetidin-1-yl]-[1-[(1-cycloheptylpiperidin-4-yl)methyl]pyrrol-3-yl]methanone
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| Structure |
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| Formula |
C27H38N8O
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| Molecular Weight |
490.656
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| Canonical SMILES |
Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3ccn(CC4CCN(CC4)C4CCCCCC4)c3)c2n1
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| InChI |
InChI=1S/C27H38N8O/c1-19-30-25(28)24-26(31-19)35(18-29-24)23-16-34(17-23)27(36)21-10-11-32(15-21)14-20-8-12-33(13-9-20)22-6-4-2-3-5-7-22/h10-11,15,18,20,22-23H,2-9,12-14,16-17H2,1H3,(H2,28,30,31)
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| InChIKey |
GBMVTCVSAVDBFP-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