General Information of the Compound
| Compound ID |
CP0957718
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| Compound Name |
(2R)-N-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)propanamide
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| Structure |
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| Formula |
C26H33N9O2
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| Molecular Weight |
503.611
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| Canonical SMILES |
COc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)n1
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| InChI |
InChI=1S/C26H33N9O2/c1-16-13-28-26(30-21-15-34(4)32-25(21)37-5)31-22(16)19-14-27-23-18(19)7-6-8-20(23)29-24(36)17(2)35-11-9-33(3)10-12-35/h6-8,13-15,17,27H,9-12H2,1-5H3,(H,29,36)(H,28,30,31)/t17-/m1/s1
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| InChIKey |
DZGZZYZUXFBJLY-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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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