General Information of the Compound
| Compound ID |
CP0567492
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| Compound Name |
N-ethyl-4-[(10S,14R)-14-methyl-6-(2-methylsulfonylpropan-2-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-amine
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| Structure |
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| Formula |
C23H30N6O4S
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| Molecular Weight |
486.598
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| Canonical SMILES |
CCNc1cnc2[nH]ccc2c1-c1nc2N3[C@H](C)COC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O
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| InChI |
InChI=1S/C23H30N6O4S/c1-6-24-16-9-26-20-15(7-8-25-20)17(16)21-27-19(23(3,4)34(5,30)31)18-22(28-21)29-13(2)10-32-11-14(29)12-33-18/h7-9,13-14,24H,6,10-12H2,1-5H3,(H,25,26)/t13-,14+/m1/s1
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| InChIKey |
PAEFRKXGUAROEW-KGLIPLIRSA-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