General Information of the Compound
| Compound ID |
CP0451825
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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 |
C28H35N9O2
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| Molecular Weight |
529.649
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(Nc1ccncc1)=NC#N
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| InChI |
InChI=1S/C28H35N9O2/c1-38-25-18-23-24(19-26(25)39-17-5-12-35-10-3-2-4-11-35)32-21-33-27(23)36-13-15-37(16-14-36)28(31-20-29)34-22-6-8-30-9-7-22/h6-9,18-19,21H,2-5,10-17H2,1H3,(H,30,31,34)
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| InChIKey |
XUEVKBGKZCRBJW-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