General Information of the Compound
| Compound ID |
CP0393368
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| Compound Name |
N-methyl-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 |
C22H28N6O4S
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| Molecular Weight |
472.571
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| Canonical SMILES |
CNc1cnc2[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/C22H28N6O4S/c1-12-9-31-10-13-11-32-17-18(22(2,3)33(5,29)30)26-20(27-21(17)28(12)13)16-14-6-7-24-19(14)25-8-15(16)23-4/h6-8,12-13,23H,9-11H2,1-5H3,(H,24,25)/t12-,13+/m1/s1
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| InChIKey |
WKCOYPNMXZEXOU-OLZOCXBDSA-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