General Information of the Compound
| Compound ID |
CP0511684
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| Compound Name |
N-[(3R)-3-[1,3-benzodioxol-5-ylmethyl-(4-methoxyphenyl)sulfonylamino]-4-(hydroxyamino)-4-oxobutyl]-2-pyrrol-1-ylbenzamide
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| Structure |
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| Formula |
C30H30N4O8S
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| Molecular Weight |
606.657
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)c1ccccc1-n1cccc1)C(=O)NO
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| InChI |
InChI=1S/C30H30N4O8S/c1-40-22-9-11-23(12-10-22)43(38,39)34(19-21-8-13-27-28(18-21)42-20-41-27)26(30(36)32-37)14-15-31-29(35)24-6-2-3-7-25(24)33-16-4-5-17-33/h2-13,16-18,26,37H,14-15,19-20H2,1H3,(H,31,35)(H,32,36)/t26-/m1/s1
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| InChIKey |
SFZSTGMKYWNLKB-AREMUKBSSA-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