General Information of the Compound
| Compound ID |
CP0467273
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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 |
C33H44N8O2
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| Molecular Weight |
584.769
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(Nc1ccc(cc1)C(C)(C)C)=NC#N
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| InChI |
InChI=1S/C33H44N8O2/c1-33(2,3)25-9-11-26(12-10-25)38-32(35-23-34)41-18-16-40(17-19-41)31-27-21-29(42-4)30(22-28(27)36-24-37-31)43-20-8-15-39-13-6-5-7-14-39/h9-12,21-22,24H,5-8,13-20H2,1-4H3,(H,35,38)
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| InChIKey |
RXMVFVWZKJFTAU-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