General Information of the Compound
| Compound ID |
CP0443141
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| Compound Name |
US8791272, 6.2
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
Cc1nn(Cc2ccc(NCc3ccccc3)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H23N3O2/c1-15-20(12-21(25)26)16(2)24(23-15)14-18-8-10-19(11-9-18)22-13-17-6-4-3-5-7-17/h3-11,22H,12-14H2,1-2H3,(H,25,26)
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| InChIKey |
JKCXOXMMDCOZRF-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