General Information of the Compound
| Compound ID |
CP0224989
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| Compound Name |
6-methoxy-2-(oxan-4-yl)-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
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| Structure |
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| Formula |
C29H45N5O3
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| Molecular Weight |
511.711
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| Canonical SMILES |
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCOCC1
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| InChI |
InChI=1S/C29H45N5O3/c1-21(2)34-14-7-23(8-15-34)30-29-24-19-26(35-3)27(37-16-6-13-33-11-4-5-12-33)20-25(24)31-28(32-29)22-9-17-36-18-10-22/h19-23H,4-18H2,1-3H3,(H,30,31,32)
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| InChIKey |
HUEIPJNFEQRZDV-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