General Information of the Compound
| Compound ID |
CP0574636
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| Compound Name |
N-hydroxy-N-[(1S)-2-[5-[2-[4-[2-(hydroxymethyl)imidazol-1-yl]phenyl]ethynyl]benzotriazol-1-yl]-1-methylsulfanylethyl]formamide
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| Formula |
C22H20N6O3S
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| Molecular Weight |
448.508
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| Canonical SMILES |
CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)-n1ccnc1CO)N(O)C=O
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| InChI |
InChI=1S/C22H20N6O3S/c1-32-22(28(31)15-30)13-27-20-9-6-17(12-19(20)24-25-27)3-2-16-4-7-18(8-5-16)26-11-10-23-21(26)14-29/h4-12,15,22,29,31H,13-14H2,1H3/t22-/m0/s1
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| InChIKey |
BLRFUTZJCGCZOH-QFIPXVFZSA-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