General Information of the Compound
| Compound ID |
CP0406771
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| Compound Name |
US9120797, 44
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| Structure |
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| Formula |
C24H27BrN2O
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| Molecular Weight |
439.397
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| Canonical SMILES |
CN(C)C1(CCC2(CC1)OCCc1c2[nH]c2ccc(Br)cc12)c1ccccc1
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| InChI |
InChI=1S/C24H27BrN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
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| InChIKey |
FNTBKHJJPRNLMX-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