General Information of the Compound
| Compound ID |
CP0514111
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| Compound Name |
4-(4-benzylpiperazin-1-yl)-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
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| Structure |
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| Formula |
C29H40N6O2
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| Molecular Weight |
504.679
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C29H40N6O2/c1-32(2)29-30-25-21-27(37-19-9-14-33-12-7-8-13-33)26(36-3)20-24(25)28(31-29)35-17-15-34(16-18-35)22-23-10-5-4-6-11-23/h4-6,10-11,20-21H,7-9,12-19,22H2,1-3H3
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| InChIKey |
VZOPUGYTOGUQJR-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