General Information of the Compound
| Compound ID |
CP0555867
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| Compound Name |
(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-N-(2-fluoroethyl)piperidin-3-amine
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| Structure |
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| Formula |
C23H27Cl2FN2O3S
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| Molecular Weight |
501.451
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCC[C@H](C2)NCCF)cc1
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| InChI |
InChI=1S/C23H27Cl2FN2O3S/c1-32(29,30)18-6-4-17(5-7-18)31-23-20-11-15(24)12-21(25)19(20)13-22(23)28-10-2-3-16(14-28)27-9-8-26/h4-7,11-12,16,22-23,27H,2-3,8-10,13-14H2,1H3/t16-,22+,23+/m1/s1
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| InChIKey |
KTJKVSCXNJJMCK-XARZLDAJSA-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