General Information of the Compound
| Compound ID |
CP0514109
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| Compound Name |
tert-butyl 4-[6-methoxy-2-[(4-methoxyphenyl)methylamino]-7-phenylmethoxyquinazolin-4-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H39N5O5
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| Molecular Weight |
585.705
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| Canonical SMILES |
COc1ccc(CNc2nc(N3CCN(CC3)C(=O)OC(C)(C)C)c3cc(OC)c(OCc4ccccc4)cc3n2)cc1
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| InChI |
InChI=1S/C33H39N5O5/c1-33(2,3)43-32(39)38-17-15-37(16-18-38)30-26-19-28(41-5)29(42-22-24-9-7-6-8-10-24)20-27(26)35-31(36-30)34-21-23-11-13-25(40-4)14-12-23/h6-14,19-20H,15-18,21-22H2,1-5H3,(H,34,35,36)
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| InChIKey |
HHXFBEWCYVZKIE-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