General Information of the Compound
| Compound ID |
CP0531451
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| Compound Name |
4-(4-cyclopentylpiperazin-1-yl)-6-methoxy-N-[(4-methoxyphenyl)methyl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
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| Structure |
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| Formula |
C33H46N6O3
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| Molecular Weight |
574.77
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| Canonical SMILES |
COc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3cc(OC)c(OCCCN4CCCC4)cc3n2)cc1
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| InChI |
InChI=1S/C33H46N6O3/c1-40-27-12-10-25(11-13-27)24-34-33-35-29-23-31(42-21-7-16-37-14-5-6-15-37)30(41-2)22-28(29)32(36-33)39-19-17-38(18-20-39)26-8-3-4-9-26/h10-13,22-23,26H,3-9,14-21,24H2,1-2H3,(H,34,35,36)
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| InChIKey |
JDBRHOFWEOJYOM-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