General Information of the Compound
| Compound ID |
CP0553771
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| Compound Name |
methyl 4-[4-[[3-[4-(acetamidomethyl)phenyl]-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-hydroxypiperidin-1-yl]-3-chlorobenzoate
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| Formula |
C29H31ClN6O5
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| Molecular Weight |
579.057
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| Canonical SMILES |
COC(=O)c1ccc(N2CCC(O)(Cn3cnc4c(-c5ccc(CNC(C)=O)cc5)n(C)nc4c3=O)CC2)c(Cl)c1
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| InChI |
InChI=1S/C29H31ClN6O5/c1-18(37)31-15-19-4-6-20(7-5-19)26-24-25(33-34(26)2)27(38)36(17-32-24)16-29(40)10-12-35(13-11-29)23-9-8-21(14-22(23)30)28(39)41-3/h4-9,14,17,40H,10-13,15-16H2,1-3H3,(H,31,37)
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| InChIKey |
NNTOMZHHYIXMMU-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