General Information of the Compound
| Compound ID |
CP0397674
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| Compound Name |
propan-2-yl 4-[[7-[2-fluoro-4-(1-methylpyrrol-2-yl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H30FN5O3
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| Molecular Weight |
479.556
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(cc1F)-c1cccn1C
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| InChI |
InChI=1S/C26H30FN5O3/c1-17(2)34-26(33)31-12-8-19(9-13-31)35-25-20-10-14-32(24(20)28-16-29-25)23-7-6-18(15-21(23)27)22-5-4-11-30(22)3/h4-7,11,15-17,19H,8-10,12-14H2,1-3H3
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| InChIKey |
CBBJTAPLBBGMKR-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