General Information of the Compound
| Compound ID |
CP0435091
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| Compound Name |
4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine, 34
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| Structure |
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| Formula |
C30H37FN8O3
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| Molecular Weight |
576.677
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| Canonical SMILES |
COCCNC(=O)c1cc(F)ccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(C)C)nc2[nH]ccc12
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| InChI |
InChI=1S/C30H37FN8O3/c1-19(2)38-12-14-39(15-13-38)21-6-8-25(26(18-21)42-4)35-30-36-27-22(9-10-32-27)28(37-30)34-24-7-5-20(31)17-23(24)29(40)33-11-16-41-3/h5-10,17-19H,11-16H2,1-4H3,(H,33,40)(H3,32,34,35,36,37)
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| InChIKey |
ASNDXJNBHVPPGQ-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