General Information of the Compound
| Compound ID |
CP0386375
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| Compound Name |
(2R,3S)-9-(3-methylsulfonylphenyl)-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
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| Structure |
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| Formula |
C26H20F3NO3S
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| Molecular Weight |
483.511
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)-c1ccc2ccc3O[C@H]([C@H](N)Cc3c2c1)c1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C26H20F3NO3S/c1-34(31,32)17-4-2-3-15(9-17)16-6-5-14-7-8-25-19(18(14)10-16)12-24(30)26(33-25)20-11-22(28)23(29)13-21(20)27/h2-11,13,24,26H,12,30H2,1H3/t24-,26+/m1/s1
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| InChIKey |
IZBRMSHNICRXNH-RSXGOPAZSA-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