General Information of the Compound
Compound ID |
CP0080064
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Compound Name |
(1R,5aR)-1-methoxy-1,6-dimethyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylene
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Structure |
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Formula |
C20H21NO
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Molecular Weight |
291.394
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Canonical SMILES |
CO[C@]1(C)c2cccc3C[C@H]4N(C)CCc5ccc1c(-c23)c45
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InChI |
InChI=1S/C20H21NO/c1-20(22-3)14-6-4-5-13-11-16-18-12(9-10-21(16)2)7-8-15(20)19(18)17(13)14/h4-8,16H,9-11H2,1-3H3/t16-,20-/m1/s1
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InChIKey |
JVZCJQBRRXZMQR-OXQOHEQNSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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