General Information of the Compound
| Compound ID |
CP0557134
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| Compound Name |
methyl 3-chloro-4-[4-hydroxy-4-[[2-methyl-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-7-oxopyrazolo[4,3-d]pyrimidin-6-yl]methyl]piperidin-1-yl]benzoate
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| Formula |
C32H37ClN6O6
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| Molecular Weight |
637.137
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| Canonical SMILES |
COC(=O)c1ccc(N2CCC(O)(Cn3cnc4c(-c5ccc(CNC(=O)OC(C)(C)C)cc5)n(C)nc4c3=O)CC2)c(Cl)c1
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| InChI |
InChI=1S/C32H37ClN6O6/c1-31(2,3)45-30(42)34-17-20-6-8-21(9-7-20)27-25-26(36-37(27)4)28(40)39(19-35-25)18-32(43)12-14-38(15-13-32)24-11-10-22(16-23(24)33)29(41)44-5/h6-11,16,19,43H,12-15,17-18H2,1-5H3,(H,34,42)
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| InChIKey |
KESVJGHNRWVBMM-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