General Information of the Compound
| Compound ID |
CP0870049
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((3-fluoro-4-(pyrrolidin-1-yl)benzoyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid, diammonia salt
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| Structure |
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| Formula |
C41H56FN7O12
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| Molecular Weight |
857.934
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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)c1ccc(N2CCCC2)c(F)c1.N.N
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| InChI |
InChI=1S/C41H50FN5O12.2H3N/c1-4-7-8-11-27(31(5-2)47(24-48)59-41(56)26-13-15-32(29(42)20-26)46-18-9-10-19-46)37(51)43-23-44-39(53)34-17-16-33(58-34)25-12-14-28(35(21-25)57-6-3)38(52)45-30(40(54)55)22-36(49)50;;/h12-17,20-21,24,27,30-31H,4-11,18-19,22-23H2,1-3H3,(H,43,51)(H,44,53)(H,45,52)(H,49,50)(H,54,55);2*1H3/t27-,30+,31-;;/m1../s1
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| InChIKey |
LQLSNYPJKSKGDM-KUOPGNGTSA-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