General Information of the Compound
| Compound ID |
CP0557002
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| Compound Name |
2-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C31H40N6O3S
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| Molecular Weight |
576.767
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
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| InChI |
InChI=1S/C31H40N6O3S/c1-19(2)40-27-18-24(22-12-15-37(6)16-13-22)21(5)17-26(27)34-31-35-29-23(11-14-32-29)30(36-31)33-25-9-7-8-10-28(25)41(38,39)20(3)4/h7-11,14,17-20,22H,12-13,15-16H2,1-6H3,(H3,32,33,34,35,36)
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| InChIKey |
SAHMNRNXZPYQHB-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