General Information of the Compound
| Compound ID |
CP0441046
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| Compound Name |
1-[3-[(4aS,10bS)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isoquinolin-3-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CC[C@H]2[C@H](CCc3ccccc23)C1
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| InChI |
InChI=1S/C27H33N3O2/c1-28(2)27(32)25-17-20-8-4-6-10-24(20)30(25)26(31)14-16-29-15-13-23-21(18-29)12-11-19-7-3-5-9-22(19)23/h3-10,21,23,25H,11-18H2,1-2H3/t21-,23+,25?/m1/s1
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| InChIKey |
CQGJHTXIGRREAM-CVZPSZOESA-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