General Information of the Compound
| Compound ID |
CP0402305
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| Compound Name |
[3-(6-amino-2-methylpurin-9-yl)-3-methylazetidin-1-yl]-[5-[(4-cycloheptylpiperazin-1-yl)methyl]-1-methylpyrazol-3-yl]methanone
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| Structure |
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| Formula |
C27H40N10O
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| Molecular Weight |
520.686
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| Canonical SMILES |
Cc1nc(N)c2ncn(c2n1)C1(C)CN(C1)C(=O)c1cc(CN2CCN(CC2)C2CCCCCC2)n(C)n1
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| InChI |
InChI=1S/C27H40N10O/c1-19-30-24(28)23-25(31-19)37(18-29-23)27(2)16-36(17-27)26(38)22-14-21(33(3)32-22)15-34-10-12-35(13-11-34)20-8-6-4-5-7-9-20/h14,18,20H,4-13,15-17H2,1-3H3,(H2,28,30,31)
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| InChIKey |
FTKQUUUDTGVWAB-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