General Information of the Compound
| Compound ID |
CP0536432
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| Compound Name |
3-cyclopropyl-5-methyl-4-[4-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2,4-triazole
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
Cc1nnc(C2CC2)n1-c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N2CCCC2)cc1
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| InChI |
InChI=1S/C25H28N4O/c1-17-26-27-25(18-8-9-18)29(17)20-10-12-21(13-11-20)30-24-22-7-3-2-6-19(22)16-23(24)28-14-4-5-15-28/h2-3,6-7,10-13,18,23-24H,4-5,8-9,14-16H2,1H3/t23-,24-/m0/s1
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| InChIKey |
AOHRDHGMMPRGQF-ZEQRLZLVSA-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