General Information of the Compound
| Compound ID |
CP0494621
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| Compound Name |
4-[4-(N-Substituted-thio-carbamoyl)-1-piperazinyl]-6-methoxy-7-alkoxyamino-quinazoline derivative
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| Structure |
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| Formula |
C30H36F3N9O2
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| Molecular Weight |
611.673
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1ccc(nc1)C(F)(F)F)=NC#N
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| InChI |
InChI=1S/C30H36F3N9O2/c1-43-25-16-23-24(17-26(25)44-15-5-10-40-8-3-2-4-9-40)38-21-39-28(23)41-11-13-42(14-12-41)29(37-20-34)36-19-22-6-7-27(35-18-22)30(31,32)33/h6-7,16-18,21H,2-5,8-15,19H2,1H3,(H,36,37)
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| InChIKey |
LITPNQNRXSIYEU-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