General Information of the Compound
| Compound ID |
CP0416919
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[2-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C36H34FN5O4
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| Molecular Weight |
619.697
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C36H34FN5O4/c37-30-19-25(22-4-5-22)18-24-9-13-42(35(44)33(24)30)32-3-1-2-26(29(32)21-43)27-6-10-38-34-28(27)20-31(39-34)23-7-11-40(12-8-23)36(45)41-14-16-46-17-15-41/h1-3,6-7,9-10,13,18-20,22,43H,4-5,8,11-12,14-17,21H2,(H,38,39)
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| InChIKey |
PANOFJZOLKOPTP-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