General Information of the Compound
| Compound ID |
CP0228854
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| Compound Name |
4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-2-(4-methylpiperazin-1-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
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| Structure |
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| Formula |
C30H47N7O2
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| Molecular Weight |
537.753
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N1CCN(C)CC1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C30H47N7O2/c1-33-13-15-37(16-14-33)30-31-26-23-28(39-21-7-12-34-10-5-6-11-34)27(38-2)22-25(26)29(32-30)36-19-17-35(18-20-36)24-8-3-4-9-24/h22-24H,3-21H2,1-2H3
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| InChIKey |
TWAKZTWALKYFGC-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