General Information of the Compound
| Compound ID |
CP0463888
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| Compound Name |
4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 30
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| Structure |
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| Formula |
C28H33FN8O2
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| Molecular Weight |
532.624
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| Canonical SMILES |
CNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12
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| InChI |
InChI=1S/C28H33FN8O2/c1-17(2)36-11-13-37(14-12-36)19-6-8-23(24(16-19)39-4)33-28-34-25-20(9-10-31-25)26(35-28)32-22-7-5-18(29)15-21(22)27(38)30-3/h5-10,15-17H,11-14H2,1-4H3,(H,30,38)(H3,31,32,33,34,35)
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| InChIKey |
OTUVWYSSKZWHPS-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