General Information of the Compound
| Compound ID |
CP0869741
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| Compound Name |
2-(dimethylamino)ethyl 4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)benzoate
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| Structure |
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| Formula |
C28H40N4O7
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| Molecular Weight |
544.649
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)OCCN(C)C)cc2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C28H40N4O7/c1-5-7-8-9-22(23(6-2)32(37)19-33)26(34)29-18-30-27(35)25-15-14-24(39-25)20-10-12-21(13-11-20)28(36)38-17-16-31(3)4/h10-15,19,22-23,37H,5-9,16-18H2,1-4H3,(H,29,34)(H,30,35)/t22-,23-/m1/s1
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| InChIKey |
IIHGBJYLFDXNJG-DHIUTWEWSA-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: PT01896, Bone morphogenetic protein 1
Protein ID: PT04609, Tolloid-like protein 1
Protein ID: PT06770, Tolloid-like protein 2