General Information of the Compound
| Compound ID |
CP0880544
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| Compound Name |
(3-ethoxy-5-(5-((((R)-2-((R)-1-(N-(nonanoyloxy)formamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonic acid
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| Structure |
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| Formula |
C34H52N3O10P
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| Molecular Weight |
693.775
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| Canonical SMILES |
CCCCCCCCC(=O)ON(C=O)[C@H](CC)[C@@H](CCCCC)C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)O)c2)o1
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| InChI |
InChI=1S/C34H52N3O10P/c1-5-9-11-12-13-15-17-32(39)47-37(24-38)29(7-3)28(16-14-10-6-2)33(40)35-23-36-34(41)31-19-18-30(46-31)25-20-26(45-8-4)22-27(21-25)48(42,43)44/h18-22,24,28-29H,5-17,23H2,1-4H3,(H,35,40)(H,36,41)(H2,42,43,44)/t28-,29-/m1/s1
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| InChIKey |
UQAVYKYPXNXPSK-FQLXRVMXSA-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