General Information of the Compound
| Compound ID |
CP0528787
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| Compound Name |
4-{7-[2-(1,4-Dioxa-8-aza-spiro[4.5]dec-8-yl)-ethoxy]-6-methoxy-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C30H35N7O5
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| Molecular Weight |
573.654
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCC2(CC1)OCCO2)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C30H35N7O5/c1-39-26-18-24-25(19-27(26)40-15-14-35-8-6-30(7-9-35)41-16-17-42-30)32-21-33-28(24)36-10-12-37(13-11-36)29(38)34-23-4-2-22(20-31)3-5-23/h2-5,18-19,21H,6-17H2,1H3,(H,34,38)
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| InChIKey |
QVQPWDUNJFESAD-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