General Information of the Compound
| Compound ID |
CP0906581
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| Compound Name |
1-methylcyclopropyl 9-(5-fluoro-6-(2-fluoro-4-(1H-1,2,4-triazol-1-yl)phenylamino)pyrimidin-4-yloxy)-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
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| Structure |
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| Formula |
C24H25F2N7O4
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| Molecular Weight |
513.505
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| Canonical SMILES |
CC1(OC(=O)N2CC3COCC(C2)C3Oc2ncnc(Nc3ccc(-n4cncn4)cc3F)c2F)CC1
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| InChI |
InChI=1S/C24H25F2N7O4/c1-24(4-5-24)37-23(34)32-7-14-9-35-10-15(8-32)20(14)36-22-19(26)21(28-12-29-22)31-18-3-2-16(6-17(18)25)33-13-27-11-30-33/h2-3,6,11-15,20H,4-5,7-10H2,1H3,(H,28,29,31)
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| InChIKey |
AFFLSSIXCBCWOQ-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