General Information of the Compound
| Compound ID |
CP0261321
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| Compound Name |
N-hydroxy-N-[(1S)-1-methylsulfanyl-2-[5-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]ethynyl]benzotriazol-1-yl]ethyl]formamide
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| Formula |
C23H23N5O3S
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| Molecular Weight |
449.536
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| Canonical SMILES |
CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1CC2(COC2)C1)N(O)C=O
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| InChI |
InChI=1S/C23H23N5O3S/c1-32-22(28(30)16-29)11-27-21-9-6-18(10-20(21)24-25-27)3-2-17-4-7-19(8-5-17)26-12-23(13-26)14-31-15-23/h4-10,16,22,30H,11-15H2,1H3/t22-/m0/s1
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| InChIKey |
BLIJBJNMEKAQGD-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