General Information of the Compound
| Compound ID |
CP0544905
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| Compound Name |
US9187437, 30
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccn1
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| InChI |
InChI=1S/C21H23N3O/c1-3-9-17(10-4-1)21(13-6-2-7-14-21)15-12-19-23-20(24-25-19)18-11-5-8-16-22-18/h1,3-5,8-11,16H,2,6-7,12-15H2
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| InChIKey |
HISKXAPZBKIRPV-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