General Information of the Compound
| Compound ID |
CP0872467
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| Compound Name |
(S)-di-tert-butyl 2-(2-ethoxy-4-(5-(((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methylcarbamoyl)furan-2-yl)benzamido)succinate
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| Structure |
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| Formula |
C38H56N4O11
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| Molecular Weight |
744.883
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(OCC)c2)o1)[C@@H](CC)N(O)C=O
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| InChI |
InChI=1S/C38H56N4O11/c1-10-13-14-15-25(28(11-2)42(49)23-43)33(45)39-22-40-35(47)30-19-18-29(51-30)24-16-17-26(31(20-24)50-12-3)34(46)41-27(36(48)53-38(7,8)9)21-32(44)52-37(4,5)6/h16-20,23,25,27-28,49H,10-15,21-22H2,1-9H3,(H,39,45)(H,40,47)(H,41,46)/t25-,27+,28-/m1/s1
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| InChIKey |
LMHSPQRUMLCCEI-FPNNDXFKSA-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