General Information of the Compound
| Compound ID |
CP0091873
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| Compound Name |
(R)-6,7-Dimethoxy-4-[3-(6-methoxy-naphthalen-2-yloxy)-pyrrolidin-1-yl]-quinazoline
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
COc1ccc2cc(O[C@@H]3CCN(C3)c3ncnc4cc(OC)c(OC)cc34)ccc2c1
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| InChI |
InChI=1S/C25H25N3O4/c1-29-18-6-4-17-11-19(7-5-16(17)10-18)32-20-8-9-28(14-20)25-21-12-23(30-2)24(31-3)13-22(21)26-15-27-25/h4-7,10-13,15,20H,8-9,14H2,1-3H3/t20-/m1/s1
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| InChIKey |
MQPLDEMSGYODSF-HXUWFJFHSA-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