General Information of the Compound
| Compound ID |
CP0965937
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| Compound Name |
methyl(3R,5S)-4-[3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,5-dimethyl-piperazine-1-carboxylate
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| Structure |
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| Formula |
C24H31FN8O2
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| Molecular Weight |
482.564
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| Canonical SMILES |
COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN(C)CC5)c(F)c4)c3n2)[C@@H](C)C1
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| InChI |
InChI=1S/C24H31FN8O2/c1-15-13-32(24(34)35-4)14-16(2)33(15)23-26-12-19-22(27-23)21(29-28-19)17-5-6-20(18(25)11-17)31-9-7-30(3)8-10-31/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3,(H,28,29)/t15-,16+
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| InChIKey |
CXZJXVJPISUKMR-IYBDPMFKSA-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