General Information of the Compound
| Compound ID |
CP0870040
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| Compound Name |
phenyl hydrogen (3-ethoxy-5-(5-((((R)-2-((R)-1-(N-hydroxyformamido)propyl)heptanamido)methyl)carbamoyl)furan-2-yl)phenyl)phosphonate, Ammonia salt
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| Structure |
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| Formula |
C31H43N4O9P
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| Molecular Weight |
646.678
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| Canonical SMILES |
CCCCC[C@@H](C(=O)NCNC(=O)c1ccc(-c2cc(OCC)cc(P(=O)(O)Oc3ccccc3)c2)o1)[C@@H](CC)N(O)C=O.N
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| InChI |
InChI=1S/C31H40N3O9P.H3N/c1-4-7-9-14-26(27(5-2)34(38)21-35)30(36)32-20-33-31(37)29-16-15-28(42-29)22-17-24(41-6-3)19-25(18-22)44(39,40)43-23-12-10-8-11-13-23;/h8,10-13,15-19,21,26-27,38H,4-7,9,14,20H2,1-3H3,(H,32,36)(H,33,37)(H,39,40);1H3/t26-,27-;/m1./s1
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| InChIKey |
QJYHYORIAXDUMF-CNZCJKERSA-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