General Information of the Compound
| Compound ID |
CP0354015
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| Compound Name |
6-methoxy-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 |
C34H43N5O4S
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| Molecular Weight |
617.816
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| Canonical SMILES |
COc1ccc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCN(C)CC3)nc(Nc3ccccc3S(=O)(=O)C(C)C)c2c1
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| InChI |
InChI=1S/C34H43N5O4S/c1-21(2)43-31-20-26(24-14-16-39(6)17-15-24)23(5)18-30(31)37-34-36-28-13-12-25(42-7)19-27(28)33(38-34)35-29-10-8-9-11-32(29)44(40,41)22(3)4/h8-13,18-22,24H,14-17H2,1-7H3,(H2,35,36,37,38)
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| InChIKey |
KAPCMKRYVNOMQW-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