General Information of the Compound
| Compound ID |
CP0228855
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| Compound Name |
4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N-[3-(4-methylpiperazin-1-yl)propyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
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| Structure |
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| Formula |
C33H54N8O2
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| Molecular Weight |
594.849
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| Canonical SMILES |
COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OCCCN1CCCC1)N1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C33H54N8O2/c1-37-16-18-39(19-17-37)14-7-11-34-33-35-29-26-31(43-24-8-15-38-12-5-6-13-38)30(42-2)25-28(29)32(36-33)41-22-20-40(21-23-41)27-9-3-4-10-27/h25-27H,3-24H2,1-2H3,(H,34,35,36)
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| InChIKey |
YAUKZCINWLIETD-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