General Information of the Compound
| Compound ID |
CP0839493
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| Compound Name |
6-Methyl-3-((methyl(2-(methyl((1-(3-trifluoromethyl)phenyl)-1H-indol-3-yl)methyl)amino)ethyl)amino)methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C31H30F3N3O2
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| Molecular Weight |
533.594
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| Canonical SMILES |
Cc1ccc2occ(CN(C)CCN(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2c1
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| InChI |
InChI=1S/C31H30F3N3O2/c1-21-11-12-29-27(15-21)30(38)23(20-39-29)18-36(3)14-13-35(2)17-22-19-37(28-10-5-4-9-26(22)28)25-8-6-7-24(16-25)31(32,33)34/h4-12,15-16,19-20H,13-14,17-18H2,1-3H3
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| InChIKey |
WWKLYGMPPWLCEC-UHFFFAOYSA-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