General Information of the Compound
Compound ID |
CP0547934
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Compound Name |
2-[[(2S)-butan-2-yl]amino]-N-[(1R,2S)-1-hydroxy-3-phenyl-1-[(2R)-pyrrolidin-2-yl]propan-2-yl]-6-methylsulfonylpyridine-4-carboxamide;hydrochloride
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Structure |
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Formula |
C24H35ClN4O4S
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Molecular Weight |
511.088
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Canonical SMILES |
Cl.CC[C@H](C)Nc1cc(cc(n1)S(C)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H]1CCCN1
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InChI |
InChI=1S/C24H34N4O4S.ClH/c1-4-16(2)26-21-14-18(15-22(28-21)33(3,31)32)24(30)27-20(13-17-9-6-5-7-10-17)23(29)19-11-8-12-25-19;/h5-7,9-10,14-16,19-20,23,25,29H,4,8,11-13H2,1-3H3,(H,26,28)(H,27,30);1H/t16-,19+,20-,23+;/m0./s1
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InChIKey |
GBLRRACOKGGFKV-KFRMPOMZSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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