General Information of the Compound
| Compound ID |
CP0870048
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-(((4R,5R)-5-ethyl-6-formyl-10-methyl-3,8-dioxo-4-pentyl-10-phenyl-7-oxa-2,6,9-triazaundecyl)carbamoyl)furan-2-yl)benzamido)succinic acid
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| Structure |
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| Formula |
C40H51N5O12
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| Molecular Weight |
793.871
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c(OCC)c2)o1)[C@@H](CC)N(C=O)OC(=O)NC(C)(C)c1ccccc1
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| InChI |
InChI=1S/C40H51N5O12/c1-6-9-11-16-27(30(7-2)45(24-46)57-39(54)44-40(4,5)26-14-12-10-13-15-26)35(49)41-23-42-37(51)32-20-19-31(56-32)25-17-18-28(33(21-25)55-8-3)36(50)43-29(38(52)53)22-34(47)48/h10,12-15,17-21,24,27,29-30H,6-9,11,16,22-23H2,1-5H3,(H,41,49)(H,42,51)(H,43,50)(H,44,54)(H,47,48)(H,52,53)/t27-,29+,30-/m1/s1
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| InChIKey |
KKVBHCAUAJPHTB-CCNCKIRNSA-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