General Information of the Compound
| Compound ID |
CP0502242
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| Compound Name |
2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-3-[3-(4-ethoxy-phenyl)-ureido]-N-hydroxy-propionamide
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| Structure |
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| Formula |
C27H30N4O9S
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| Molecular Weight |
586.623
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| Canonical SMILES |
CCOc1ccc(NC(=O)NC[C@@H](N(Cc2ccc3OCOc3c2)S(=O)(=O)c2ccc(OC)cc2)C(=O)NO)cc1
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| InChI |
InChI=1S/C27H30N4O9S/c1-3-38-21-7-5-19(6-8-21)29-27(33)28-15-23(26(32)30-34)31(16-18-4-13-24-25(14-18)40-17-39-24)41(35,36)22-11-9-20(37-2)10-12-22/h4-14,23,34H,3,15-17H2,1-2H3,(H,30,32)(H2,28,29,33)/t23-/m1/s1
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| InChIKey |
UVQSMXDFHINCNW-HSZRJFAPSA-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