General Information of the Compound
| Compound ID |
CP0510180
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| Compound Name |
2-[4-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]-1,4-diazepan-1-yl]ethanol
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| Structure |
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| Formula |
C23H28Cl2N2O4S
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| Molecular Weight |
499.46
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CCCN(CCO)CC2)cc1
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| InChI |
InChI=1S/C23H28Cl2N2O4S/c1-32(29,30)18-5-3-17(4-6-18)31-23-20-13-16(24)14-21(25)19(20)15-22(23)27-8-2-7-26(9-10-27)11-12-28/h3-6,13-14,22-23,28H,2,7-12,15H2,1H3/t22-,23-/m0/s1
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| InChIKey |
UFJUNIVCQRKCEJ-GOTSBHOMSA-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