General Information of the Compound
| Compound ID |
CP0463890
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| Compound Name |
(3R)-1-[(1S,2S)-6-chloro-1-[2-chloro-4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
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| Structure |
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| Formula |
C23H24Cl2N4O2
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| Molecular Weight |
459.377
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| Canonical SMILES |
Cc1nnc(C)n1-c1ccc(O[C@@H]2[C@H](Cc3ccc(Cl)cc23)N2CC[C@@H](O)C2)c(Cl)c1
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| InChI |
InChI=1S/C23H24Cl2N4O2/c1-13-26-27-14(2)29(13)17-5-6-22(20(25)11-17)31-23-19-10-16(24)4-3-15(19)9-21(23)28-8-7-18(30)12-28/h3-6,10-11,18,21,23,30H,7-9,12H2,1-2H3/t18-,21+,23+/m1/s1
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| InChIKey |
PXZHZDNVYZAURZ-JZWVFAODSA-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