General Information of the Compound
| Compound ID |
CP0431601
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| Compound Name |
4-[6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C30H40N6O4
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| Molecular Weight |
548.688
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C30H40N6O4/c1-22(2)40-24-9-7-23(8-10-24)33-30(37)36-16-14-35(15-17-36)29-25-19-27(38-3)28(20-26(25)31-21-32-29)39-18-6-13-34-11-4-5-12-34/h7-10,19-22H,4-6,11-18H2,1-3H3,(H,33,37)
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| InChIKey |
ILQZIVOSSFSFHN-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