General Information of the Compound
| Compound ID |
CP0377221
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| Compound Name |
4-[({3-[Benzo[1,3]dioxol-5-ylmethyl-((R)-4-methoxy-benzenesulfonyl)-amino]-3-hydroxycarbamoyl-propylcarbamoyl}-methyl)-amino]-cyclohexanecarboxylic acid ethyl ester
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| Structure |
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| Formula |
C30H40N4O10S
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| Molecular Weight |
648.735
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| Canonical SMILES |
CCOC(=O)C1CCC(CC1)NCC(=O)NCC[C@@H](N(Cc1ccc2OCOc2c1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
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| InChI |
InChI=1S/C30H40N4O10S/c1-3-42-30(37)21-5-7-22(8-6-21)32-17-28(35)31-15-14-25(29(36)33-38)34(18-20-4-13-26-27(16-20)44-19-43-26)45(39,40)24-11-9-23(41-2)10-12-24/h4,9-13,16,21-22,25,32,38H,3,5-8,14-15,17-19H2,1-2H3,(H,31,35)(H,33,36)/t21?,22?,25-/m1/s1
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| InChIKey |
DAMJVARUTCXXBG-XUNZJTMSSA-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