General Information of the Compound
| Compound ID |
CP0946235
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| Compound Name |
(S)-2-(2-ethoxy-4-(5-((((R)-2-((R)-1-(N-((piperidine-4-carbonyl)oxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzamido)succinic acid, Trifluoroacetic acid salt
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| Structure |
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| Formula |
C38H50F3N5O14
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| Molecular Weight |
857.833
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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)C1CCNCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C36H49N5O12.C2HF3O2/c1-4-7-8-9-24(27(5-2)41(21-42)53-36(50)22-14-16-37-17-15-22)32(45)38-20-39-34(47)29-13-12-28(52-29)23-10-11-25(30(18-23)51-6-3)33(46)40-26(35(48)49)19-31(43)44;3-2(4,5)1(6)7/h10-13,18,21-22,24,26-27,37H,4-9,14-17,19-20H2,1-3H3,(H,38,45)(H,39,47)(H,40,46)(H,43,44)(H,48,49);(H,6,7)/t24-,26+,27-;/m1./s1
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| InChIKey |
XUDVOAQHZMROBY-MOFJMITQSA-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