General Information of the Compound
| Compound ID |
CP0500647
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| Compound Name |
3-(((R)-2-((R)-2-(1-(benzo[d]thiazol-2-yl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)pyrrolidin-1-yl)methyl)benzonitrile
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| Structure |
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| Formula |
C25H30N4OS
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| Molecular Weight |
434.609
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| Canonical SMILES |
CC(C)(Cc1nc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
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| InChI |
InChI=1S/C25H30N4OS/c1-25(2,14-24-28-20-9-3-4-11-23(20)31-24)27-16-22(30)21-10-6-12-29(21)17-19-8-5-7-18(13-19)15-26/h3-5,7-9,11,13,21-22,27,30H,6,10,12,14,16-17H2,1-2H3/t21-,22-/m1/s1
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| InChIKey |
HJTHIAADVAAZSA-FGZHOGPDSA-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