General Information of the Compound
| Compound ID |
CP0451841
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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 |
C28H37N9O3
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| Molecular Weight |
547.664
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(NCc1cc(C)on1)=NC#N
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| InChI |
InChI=1S/C28H37N9O3/c1-21-15-22(34-40-21)18-30-28(31-19-29)37-12-10-36(11-13-37)27-23-16-25(38-2)26(17-24(23)32-20-33-27)39-14-6-9-35-7-4-3-5-8-35/h15-17,20H,3-14,18H2,1-2H3,(H,30,31)
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| InChIKey |
SQQXZLDWWFORTO-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