General Information of the Compound
| Compound ID |
CP0565099
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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)quinazoline-2,4-diamine
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| Structure |
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| Formula |
C33H41N5O3S
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| Molecular Weight |
587.79
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| Canonical SMILES |
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccccc2n1
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| InChI |
InChI=1S/C33H41N5O3S/c1-21(2)41-30-20-26(24-15-17-38(6)18-16-24)23(5)19-29(30)36-33-35-27-12-8-7-11-25(27)32(37-33)34-28-13-9-10-14-31(28)42(39,40)22(3)4/h7-14,19-22,24H,15-18H2,1-6H3,(H2,34,35,36,37)
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| InChIKey |
WJVYGRDGVXCDAY-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