General Information of the Compound
| Compound ID |
CP0551773
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| Compound Name |
N-[(1S)-2-[5-[2-[4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]phenyl]ethynyl]benzotriazol-1-yl]-1-methylsulfanylethyl]-N-hydroxyformamide
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| Formula |
C22H23N5O4S
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| Molecular Weight |
453.524
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| Canonical SMILES |
CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1C[C@H](O)[C@@H](O)C1)N(O)C=O
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| InChI |
InChI=1S/C22H23N5O4S/c1-32-22(27(31)14-28)13-26-19-9-6-16(10-18(19)23-24-26)3-2-15-4-7-17(8-5-15)25-11-20(29)21(30)12-25/h4-10,14,20-22,29-31H,11-13H2,1H3/t20-,21-,22-/m0/s1
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| InChIKey |
HOWGEUFURVGLOQ-FKBYEOEOSA-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