General Information of the Compound
| Compound ID |
CP0320926
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[4-(morpholine-4-carbonyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C36H30FN5O4
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| Molecular Weight |
615.665
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C36H30FN5O4/c37-29-17-25(21-4-5-21)16-24-10-11-42(36(45)32(24)29)31-3-1-2-26(28(31)19-43)33-27-18-30(40-34(27)39-20-38-33)22-6-8-23(9-7-22)35(44)41-12-14-46-15-13-41/h1-3,6-11,16-18,20-21,43H,4-5,12-15,19H2,(H,38,39,40)
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| InChIKey |
BAQMOLTXMVSBBA-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