General Information of the Compound
| Compound ID |
CP0365489
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| Compound Name |
[4-(aminomethyl)phenyl]-[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C30H41N7O3
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| Molecular Weight |
547.704
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccc(CN)cc1
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| InChI |
InChI=1S/C30H41N7O3/c1-34(2)30-32-25-20-27(40-18-6-13-35-11-4-5-12-35)26(39-3)19-24(25)28(33-30)36-14-16-37(17-15-36)29(38)23-9-7-22(21-31)8-10-23/h7-10,19-20H,4-6,11-18,21,31H2,1-3H3
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| InChIKey |
DCKUHRALBRAHKD-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