General Information of the Compound
| Compound ID |
CP0853206
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| Compound Name |
(3-ethoxy-5-(5-(((4R,5R)-5-ethyl-6-formyl-10,10-dimethyl-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 |
C30H45N4O10P
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| Molecular Weight |
652.682
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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)C
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| InChI |
InChI=1S/C30H45N4O10P/c1-7-10-11-12-23(24(8-2)34(19-35)44-29(38)33-30(4,5)6)27(36)31-18-32-28(37)26-14-13-25(43-26)20-15-21(42-9-3)17-22(16-20)45(39,40)41/h13-17,19,23-24H,7-12,18H2,1-6H3,(H,31,36)(H,32,37)(H,33,38)(H2,39,40,41)/t23-,24-/m1/s1
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| InChIKey |
IUPAJXOHJKSRAU-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