General Information of the Compound
| Compound ID |
CP0502195
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| Compound Name |
2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-4-(3-1H-benzoimidazol-2-yl-propionylamino)-N-hydroxy-butyramide
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| Structure |
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| Formula |
C29H31N5O8S
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| Molecular Weight |
609.661
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)CCc1nc2ccccc2[nH]1)C(=O)NO
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| InChI |
InChI=1S/C29H31N5O8S/c1-40-20-7-9-21(10-8-20)43(38,39)34(17-19-6-11-25-26(16-19)42-18-41-25)24(29(36)33-37)14-15-30-28(35)13-12-27-31-22-4-2-3-5-23(22)32-27/h2-11,16,24,37H,12-15,17-18H2,1H3,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1
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| InChIKey |
LGQDWTDDKYTDOP-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