General Information of the Compound
| Compound ID |
CP0360944
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| Compound Name |
6-(4-fluoro-6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
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| Structure |
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| Formula |
C24H24FN9O2
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| Molecular Weight |
489.515
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| Canonical SMILES |
C[C@H](Nc1c(-c2nc3c(F)cc(cc3[nH]2)N2CCOCC2)c(=O)[nH]c2cn(C)nc12)c1ncccn1
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| InChI |
InChI=1S/C24H24FN9O2/c1-13(22-26-4-3-5-27-22)28-21-18(24(35)30-17-12-33(2)32-20(17)21)23-29-16-11-14(10-15(25)19(16)31-23)34-6-8-36-9-7-34/h3-5,10-13,28H,6-9H2,1-2H3,(H,29,31)(H,30,35)/t13-/m0/s1
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| InChIKey |
GLZXNTQZIPGNHO-ZDUSSCGKSA-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