General Information of the Compound
| Compound ID |
CP0558614
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| Compound Name |
CHEMBL4102419
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
O[C@]1(Cc2cc(on2)-c2cn[nH]c2)CC[C@H](Cc2ccccc2)CC1
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| InChI |
InChI=1S/C20H23N3O2/c24-20(12-18-11-19(25-23-18)17-13-21-22-14-17)8-6-16(7-9-20)10-15-4-2-1-3-5-15/h1-5,11,13-14,16,24H,6-10,12H2,(H,21,22)/t16-,20+
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| InChIKey |
JVPOHQBKCRIEMN-MOBUCQHHSA-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