General Information of the Compound
| Compound ID |
CP0486388
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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 |
C34H39N9O2
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| Molecular Weight |
605.747
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(Nc1ccc(cc1)-c1ccccn1)=NC#N
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| InChI |
InChI=1S/C34H39N9O2/c1-44-31-22-28-30(23-32(31)45-21-7-16-41-14-5-2-6-15-41)38-25-39-33(28)42-17-19-43(20-18-42)34(37-24-35)40-27-11-9-26(10-12-27)29-8-3-4-13-36-29/h3-4,8-13,22-23,25H,2,5-7,14-21H2,1H3,(H,37,40)
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| InChIKey |
MUWYDJMHRSQTKQ-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