General Information of the Compound
| Compound ID |
CP0375914
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| Compound Name |
3-(4-Acetylamino-benzylamino)-2-[benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-propionamide
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| Structure |
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| Formula |
C27H30N4O8S
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| Molecular Weight |
570.624
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CNCc1ccc(NC(C)=O)cc1)C(=O)NO
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| InChI |
InChI=1S/C27H30N4O8S/c1-18(32)29-21-6-3-19(4-7-21)14-28-15-24(27(33)30-34)31(16-20-5-12-25-26(13-20)39-17-38-25)40(35,36)23-10-8-22(37-2)9-11-23/h3-13,24,28,34H,14-17H2,1-2H3,(H,29,32)(H,30,33)/t24-/m1/s1
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| InChIKey |
BTLHAVYKRJDJTO-XMMPIXPASA-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