General Information of the Compound
| Compound ID |
CP0565073
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| Compound Name |
methyl 4-[4-[(3-bromo-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)methyl]-4-hydroxypiperidin-1-yl]-3-chlorobenzoate
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| Formula |
C20H21BrClN5O4
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| Molecular Weight |
510.776
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| Canonical SMILES |
COC(=O)c1ccc(N2CCC(O)(Cn3cnc4c(Br)n(C)nc4c3=O)CC2)c(Cl)c1
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| InChI |
InChI=1S/C20H21BrClN5O4/c1-25-17(21)15-16(24-25)18(28)27(11-23-15)10-20(30)5-7-26(8-6-20)14-4-3-12(9-13(14)22)19(29)31-2/h3-4,9,11,30H,5-8,10H2,1-2H3
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| InChIKey |
SCXFEDGKAYSQJV-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