General Information of the Compound
| Compound ID |
CP0426350
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| Compound Name |
4-(4-cyclopentylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
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| Structure |
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| Formula |
C32H43FN6O2
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| Molecular Weight |
562.734
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| Canonical SMILES |
COc1cc2c(nc(NCc3ccc(F)cc3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C32H43FN6O2/c1-40-29-21-27-28(22-30(29)41-20-6-15-37-13-4-5-14-37)35-32(34-23-24-9-11-25(33)12-10-24)36-31(27)39-18-16-38(17-19-39)26-7-2-3-8-26/h9-12,21-22,26H,2-8,13-20,23H2,1H3,(H,34,35,36)
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| InChIKey |
IYVSUNBKKTXLIW-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