General Information of the Compound
| Compound ID |
CP0895753
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| Compound Name |
(2R)-N-(3-(2-(3-ethoxy-1-methyl-1H-pyrazol-4-ylamino)-5-methylpyrimidin-4-yl)-1H-indol-7-yl)-2-(4-methylpiperazin-1-yl)butanamide
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| Structure |
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| Formula |
C28H37N9O2
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| Molecular Weight |
531.665
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| Canonical SMILES |
CCOc1nn(C)cc1Nc1ncc(C)c(-c2c[nH]c3c(NC(=O)[C@@H](CC)N4CCN(C)CC4)cccc23)n1
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| InChI |
InChI=1S/C28H37N9O2/c1-6-23(37-13-11-35(4)12-14-37)26(38)31-21-10-8-9-19-20(16-29-25(19)21)24-18(3)15-30-28(33-24)32-22-17-36(5)34-27(22)39-7-2/h8-10,15-17,23,29H,6-7,11-14H2,1-5H3,(H,31,38)(H,30,32,33)/t23-/m1/s1
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| InChIKey |
MFLOYXVMLPUWDM-HSZRJFAPSA-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