General Information of the Compound
| Compound ID |
CP0400533
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| Compound Name |
[(1S,3R)-3-[(4,7-dimethoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C30H37F3N2O3
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| Molecular Weight |
530.631
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| Canonical SMILES |
COc1ccc(OC)c2C(CCc12)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C30H37F3N2O3/c1-18(2)29(28(36)35-14-12-19-5-6-21(30(31,32)33)15-20(19)17-35)13-11-22(16-29)34-24-8-7-23-25(37-3)9-10-26(38-4)27(23)24/h5-6,9-10,15,18,22,24,34H,7-8,11-14,16-17H2,1-4H3/t22-,24?,29+/m1/s1
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| InChIKey |
AYCUFQQHIPKKPO-LYUOWNPOSA-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