General Information of the Compound
| Compound ID |
CP0414707
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C37H33FN4O3
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| Molecular Weight |
600.694
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C37H33FN4O3/c38-32-19-27(24-8-9-24)18-26-11-13-42(37(44)35(26)32)34-3-1-2-28(31(34)22-43)29-10-12-39-36-30(29)20-33(40-36)25-6-4-23(5-7-25)21-41-14-16-45-17-15-41/h1-7,10-13,18-20,24,43H,8-9,14-17,21-22H2,(H,39,40)
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| InChIKey |
OYJVCWXWKOVGBX-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