General Information of the Compound
| Compound ID |
CP0068443
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C33H30FN5O3
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| Molecular Weight |
563.633
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C1COC1
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| InChI |
InChI=1S/C33H30FN5O3/c34-27-13-22(19-4-5-19)12-21-8-11-39(33(41)30(21)27)29-3-1-2-24(26(29)15-40)31-25-14-28(37-32(25)36-18-35-31)20-6-9-38(10-7-20)23-16-42-17-23/h1-3,6,8,11-14,18-19,23,40H,4-5,7,9-10,15-17H2,(H,35,36,37)
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| InChIKey |
GJESDBCLIUWDLK-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