General Information of the Compound
| Compound ID |
CP0008642
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| Compound Name |
2-[(2S)-1-(5-acetyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-5-fluoro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C24H20FN7O2
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| Molecular Weight |
457.469
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| Canonical SMILES |
CC(=O)c1c[nH]c2ncnc(N3CCC[C@H]3c3nn4ccc(F)c4c(=O)n3-c3ccccc3)c12
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| InChI |
InChI=1S/C24H20FN7O2/c1-14(33)16-12-26-21-19(16)23(28-13-27-21)30-10-5-8-18(30)22-29-31-11-9-17(25)20(31)24(34)32(22)15-6-3-2-4-7-15/h2-4,6-7,9,11-13,18H,5,8,10H2,1H3,(H,26,27,28)/t18-/m0/s1
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| InChIKey |
JLOBDTCNOFGFPB-SFHVURJKSA-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