General Information of the Compound
| Compound ID |
CP0442526
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| Compound Name |
3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-3-yl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)pyrrolidin-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C26H31N3OS
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| Molecular Weight |
433.621
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| Canonical SMILES |
CC(C)(Cc1csc2ccccc12)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C26H31N3OS/c1-26(2,14-21-18-31-25-11-4-3-9-22(21)25)28-16-24(30)23-10-6-12-29(23)17-20-8-5-7-19(13-20)15-27/h3-5,7-9,11,13,18,23-24,28,30H,6,10,12,14,16-17H2,1-2H3/t23-,24-/m1/s1
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| InChIKey |
BNJSVXAJEDIILM-DNQXCXABSA-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