General Information of the Compound
| Compound ID |
CP0406635
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| Compound Name |
2-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-4-[2-(pyrazin-2-ylamino)-acetylamino]-butyramide
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| Structure |
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| Formula |
C25H28N6O8S
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| Molecular Weight |
572.6
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(Cc1ccc2OCOc2c1)[C@H](CCNC(=O)CNc1cnccn1)C(=O)NO
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| InChI |
InChI=1S/C25H28N6O8S/c1-37-18-3-5-19(6-4-18)40(35,36)31(15-17-2-7-21-22(12-17)39-16-38-21)20(25(33)30-34)8-9-28-24(32)14-29-23-13-26-10-11-27-23/h2-7,10-13,20,34H,8-9,14-16H2,1H3,(H,27,29)(H,28,32)(H,30,33)/t20-/m1/s1
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| InChIKey |
GPJIEIZMCWYLHR-HXUWFJFHSA-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