General Information of the Compound
| Compound ID |
CP0526613
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| Compound Name |
4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 33
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| Structure |
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| Formula |
C29H35FN8O3
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| Molecular Weight |
562.65
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| Canonical SMILES |
COc1cc(ccc1Nc1nc(Nc2ccc(F)cc2C(=O)NCCO)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C29H35FN8O3/c1-18(2)37-11-13-38(14-12-37)20-5-7-24(25(17-20)41-3)34-29-35-26-21(8-9-31-26)27(36-29)33-23-6-4-19(30)16-22(23)28(40)32-10-15-39/h4-9,16-18,39H,10-15H2,1-3H3,(H,32,40)(H3,31,33,34,35,36)
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| InChIKey |
SLOHQMPCYXWRKN-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