General Information of the Compound
| Compound ID |
CP0559517
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| Compound Name |
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-fluorophenyl)acetamide
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| Structure |
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| Formula |
C29H31FN10O
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| Molecular Weight |
554.634
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| Canonical SMILES |
CN(C)CCn1cc(cn1)-c1cc(Nc2cc(C)n[nH]2)nc(Nc2ccc(CC(=O)Nc3ccccc3F)cc2)n1
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| InChI |
InChI=1S/C29H31FN10O/c1-19-14-27(38-37-19)35-26-16-25(21-17-31-40(18-21)13-12-39(2)3)34-29(36-26)32-22-10-8-20(9-11-22)15-28(41)33-24-7-5-4-6-23(24)30/h4-11,14,16-18H,12-13,15H2,1-3H3,(H,33,41)(H3,32,34,35,36,37,38)
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| InChIKey |
SHTOBBGTNPDWEH-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