General Information of the Compound
| Compound ID |
CP0437095
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| Compound Name |
4-methyl-5-(2-methyl-1,2-dihydrospiro[3,1-benzoxazine-4,1'-cyclohexan]-6-yl)thiophene-2-carbonitrile
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| Structure |
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| Formula |
C20H22N2OS
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| Molecular Weight |
338.476
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| Canonical SMILES |
CC1Nc2ccc(cc2C2(CCCCC2)O1)-c1sc(cc1C)C#N
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| InChI |
InChI=1S/C20H22N2OS/c1-13-10-16(12-21)24-19(13)15-6-7-18-17(11-15)20(23-14(2)22-18)8-4-3-5-9-20/h6-7,10-11,14,22H,3-5,8-9H2,1-2H3
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| InChIKey |
QSPLZUUZOGZOSA-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