General Information of the Compound
| Compound ID |
CP0517263
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| Compound Name |
methyl 4-[4-[7-amino-5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C35H44N8O3
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| Molecular Weight |
624.79
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| Canonical SMILES |
COC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cnn2c(N)c(c(NC3CC(C)(C)N(C)C(C)(C)C3)nc12)-c1ccccc1
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| InChI |
InChI=1S/C35H44N8O3/c1-34(2)20-26(21-35(3,4)40(34)5)38-30-28(24-10-8-7-9-11-24)29(36)43-31(39-30)27(22-37-43)23-12-14-25(15-13-23)32(44)41-16-18-42(19-17-41)33(45)46-6/h7-15,22,26H,16-21,36H2,1-6H3,(H,38,39)
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| InChIKey |
ZTIHSLVMCONHQU-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