General Information of the Compound
| Compound ID |
CP0853209
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| Compound Name |
(3-ethoxy-5-(5-(((4R,5R)-5-ethyl-6-formyl-10-methyl-3,8-dioxo-4-pentyl-7-oxa-2,6,9-triazaundecyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C29H43N4O10P
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| Molecular Weight |
638.655
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1)[C@@H](CC)N(C=O)OC(=O)NC(C)C
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| InChI |
InChI=1S/C29H43N4O10P/c1-6-9-10-11-23(24(7-2)33(18-34)43-29(37)32-19(4)5)27(35)30-17-31-28(36)26-13-12-25(42-26)20-14-21(41-8-3)16-22(15-20)44(38,39)40/h12-16,18-19,23-24H,6-11,17H2,1-5H3,(H,30,35)(H,31,36)(H,32,37)(H2,38,39,40)/t23-,24-/m1/s1
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| InChIKey |
YJAXSPQCVRXOLK-DNQXCXABSA-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
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2