General Information of the Compound
| Compound ID |
CP0320928
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-(1-pyrimidin-2-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 |
C34H28FN7O2
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| Molecular Weight |
585.643
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C34H28FN7O2/c35-27-16-23(20-5-6-20)15-22-9-14-42(33(44)30(22)27)29-4-1-3-24(26(29)18-43)31-25-17-28(40-32(25)39-19-38-31)21-7-12-41(13-8-21)34-36-10-2-11-37-34/h1-4,7,9-11,14-17,19-20,43H,5-6,8,12-13,18H2,(H,38,39,40)
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| InChIKey |
NAOLEVWKCPGVOD-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