General Information of the Compound
| Compound ID |
CP0487664
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| Compound Name |
[4-[7-amino-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C34H44N8O3S
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| Molecular Weight |
644.846
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| Canonical SMILES |
CN1C(C)(C)CC(CC1(C)C)Nc1nc2c(cnn2c(N)c1-c1ccccc1)-c1ccc(cc1)C(=O)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C34H44N8O3S/c1-33(2)20-26(21-34(3,4)39(33)5)37-30-28(24-10-8-7-9-11-24)29(35)42-31(38-30)27(22-36-42)23-12-14-25(15-13-23)32(43)40-16-18-41(19-17-40)46(6,44)45/h7-15,22,26H,16-21,35H2,1-6H3,(H,37,38)
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| InChIKey |
WOEVJDXDZJWENO-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