General Information of the Compound
| Compound ID |
CP0903912
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| Compound Name |
(S)-dimethyl 2-(4-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)-2-(2-methoxy-2-oxoethoxy)benzamido)succinate
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| Structure |
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| Formula |
C33H44N4O13
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| Molecular Weight |
704.73
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)OC)C(=O)OC)c(OCC(=O)OC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C33H44N4O13/c1-6-8-9-10-21(24(7-2)37(45)19-38)30(41)34-18-35-32(43)26-14-13-25(50-26)20-11-12-22(27(15-20)49-17-29(40)47-4)31(42)36-23(33(44)48-5)16-28(39)46-3/h11-15,19,21,23-24,45H,6-10,16-18H2,1-5H3,(H,34,41)(H,35,43)(H,36,42)/t21-,23+,24-/m1/s1
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| InChIKey |
OYWQOZBUWNWODY-YFNKSVMNSA-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