General Information of the Compound
| Compound ID |
CP0485147
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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(NCc1ccc(cc1)C(C)C)=NC#N
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| InChI |
InChI=1S/C33H44N8O2/c1-25(2)27-10-8-26(9-11-27)22-35-33(36-23-34)41-17-15-40(16-18-41)32-28-20-30(42-3)31(21-29(28)37-24-38-32)43-19-7-14-39-12-5-4-6-13-39/h8-11,20-21,24-25H,4-7,12-19,22H2,1-3H3,(H,35,36)
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| InChIKey |
KCMCGEICEBJKKM-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