General Information of the Compound
| Compound ID |
CP0419627
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| Compound Name |
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-4-methyl-1,4-diazepane
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| Structure |
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| Formula |
C22H26Cl2N2O3S
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| Molecular Weight |
469.434
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| Canonical SMILES |
CN1CCCN(CC1)[C@H]1Cc2c(cc(Cl)cc2Cl)[C@@H]1Oc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H26Cl2N2O3S/c1-25-8-3-9-26(11-10-25)21-14-18-19(12-15(23)13-20(18)24)22(21)29-16-4-6-17(7-5-16)30(2,27)28/h4-7,12-13,21-22H,3,8-11,14H2,1-2H3/t21-,22-/m0/s1
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| InChIKey |
SUPZEGAMMYLUQW-VXKWHMMOSA-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