General Information of the Compound
| Compound ID |
CP0375017
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(4-tert-butyl-phenoxy)-phenyl]-amide
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| Structure |
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| Formula |
C35H43N5O6
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| Molecular Weight |
629.758
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc(cc4)C(C)(C)C)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C35H43N5O6/c1-35(2,3)25-6-10-27(11-7-25)46-28-12-8-26(9-13-28)38-34(41)40-16-14-39(15-17-40)33-29-22-31(44-20-18-42-4)32(45-21-19-43-5)23-30(29)36-24-37-33/h6-13,22-24H,14-21H2,1-5H3,(H,38,41)
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| InChIKey |
QYQSABYRKQKCSG-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