General Information of the Compound
| Compound ID |
CP0942342
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| Compound Name |
3-5-((((R)-2-((R)-1-(N-hydroxymethylformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-5-propoxybenzoic acid
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| Structure |
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| Formula |
C27H37N3O8
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| Molecular Weight |
531.606
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCCC)cc(C(=O)O)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C27H37N3O8/c1-4-7-8-9-21(22(6-3)30(36)17-31)25(32)28-16-29-26(33)24-11-10-23(38-24)18-13-19(27(34)35)15-20(14-18)37-12-5-2/h10-11,13-15,17,21-22,36H,4-9,12,16H2,1-3H3,(H,28,32)(H,29,33)(H,34,35)/t21-,22-/m1/s1
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| InChIKey |
CCQZNGVTACLZPG-FGZHOGPDSA-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