General Information of the Compound
| Compound ID |
CP0781787
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| Compound Name |
rac-3,3-Dimethyl-7-(pyrimidin-5-yl)-3,4-dihydro-2H,5'H-spiro-[naphthalene-1,4'-oxazol]-2'-amine
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| Structure |
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| Formula |
C18H20N4O
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| Molecular Weight |
308.385
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| Canonical SMILES |
CC1(C)Cc2ccc(-c3cncnc3)cc2C2(COC(N)=N2)C1
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| InChI |
InChI=1S/C18H20N4O/c1-17(2)6-13-4-3-12(14-7-20-11-21-8-14)5-15(13)18(9-17)10-23-16(19)22-18/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,19,22)
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| InChIKey |
INXKKZAEXZKHNZ-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