General Information of the Compound
| Compound ID |
CP0458544
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| Compound Name |
US9493412, 146
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| Structure |
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| Formula |
C23H24N2O3
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| Molecular Weight |
376.456
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| Canonical SMILES |
CCN1CC(C(=O)N[C@@H]2CCC(c3ccccc3)c3ccccc23)=C(O)C1=O
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| InChI |
InChI=1S/C23H24N2O3/c1-2-25-14-19(21(26)23(25)28)22(27)24-20-13-12-16(15-8-4-3-5-9-15)17-10-6-7-11-18(17)20/h3-11,16,20,26H,2,12-14H2,1H3,(H,24,27)/t16?,20-/m1/s1
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| InChIKey |
CYZIZTQBLIJVAS-OTOKDRCRSA-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