General Information of the Compound
Compound ID |
CP0460750
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Compound Name |
(2R)-N-[3-[2-[(2-fluoropyridin-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide
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Structure |
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Formula |
C26H29FN8O
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Molecular Weight |
488.571
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Canonical SMILES |
C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C
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InChI |
InChI=1S/C26H29FN8O/c1-16-14-30-26(32-21-8-5-9-28-24(21)27)33-22(16)19-15-29-23-18(19)6-4-7-20(23)31-25(36)17(2)35-12-10-34(3)11-13-35/h4-9,14-15,17,29H,10-13H2,1-3H3,(H,31,36)(H,30,32,33)/t17-/m1/s1
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InChIKey |
YTXXSESRXPGXSC-QGZVFWFLSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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