General Information of the Compound
| Compound ID |
CP0881842
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| Compound Name |
1-((3S)-3-(7-methoxy-4-((lR)-1-phenylethylamine)quinazolin-6-yloxy)pyrrolidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
C=CC(=O)N1CC[C@H](Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C24H26N4O3/c1-4-23(29)28-11-10-18(14-28)31-22-12-19-20(13-21(22)30-3)25-15-26-24(19)27-16(2)17-8-6-5-7-9-17/h4-9,12-13,15-16,18H,1,10-11,14H2,2-3H3,(H,25,26,27)/t16-,18+/m1/s1
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| InChIKey |
RTRKXKKOOFQSCE-AEFFLSMTSA-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