General Information of the Compound
| Compound ID |
CP0567455
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| Compound Name |
N-hydroxy-N-[(1S)-1-methylsulfanyl-2-[5-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]benzotriazol-1-yl]ethyl]formamide
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| Structure |
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| Formula |
C23H25N5O3S
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| Molecular Weight |
451.552
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| Canonical SMILES |
CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N(O)C=O
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| InChI |
InChI=1S/C23H25N5O3S/c1-32-23(28(30)17-29)16-27-22-9-8-19(14-21(22)24-25-27)5-2-18-3-6-20(7-4-18)15-26-10-12-31-13-11-26/h3-4,6-9,14,17,23,30H,10-13,15-16H2,1H3/t23-/m0/s1
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| InChIKey |
VVTZCIBPJIURIN-QHCPKHFHSA-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