General Information of the Compound
| Compound ID |
CP0514472
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| Compound Name |
4-[3-chloro-4-[[(1S,2S)-6-chloro-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3,5-dimethyl-1,2,4-triazole
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| Structure |
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| Formula |
C23H24Cl2N4O
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| Molecular Weight |
443.378
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| Canonical SMILES |
Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N2CCCC2)c(Cl)c1
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| InChI |
InChI=1S/C23H24Cl2N4O/c1-14-26-27-15(2)29(14)18-7-8-22(20(25)13-18)30-23-19-12-17(24)6-5-16(19)11-21(23)28-9-3-4-10-28/h5-8,12-13,21,23H,3-4,9-11H2,1-2H3/t21-,23-/m0/s1
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| InChIKey |
MZQCXOQHFDCHNV-GMAHTHKFSA-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