General Information of the Compound
| Compound ID |
CP0457733
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| Compound Name |
4-(4-cyclopentylpiperazin-1-yl)-N-(3-imidazol-1-ylpropyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
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| Structure |
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| Formula |
C31H46N8O2
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| Molecular Weight |
562.763
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| Canonical SMILES |
COc1cc2c(nc(NCCCn3ccnc3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C31H46N8O2/c1-40-28-22-26-27(23-29(28)41-21-7-15-36-12-4-5-13-36)34-31(33-10-6-14-37-16-11-32-24-37)35-30(26)39-19-17-38(18-20-39)25-8-2-3-9-25/h11,16,22-25H,2-10,12-15,17-21H2,1H3,(H,33,34,35)
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| InChIKey |
HAXOFXNCHNPSBZ-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