General Information of the Compound
| Compound ID |
CP0480745
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| Compound Name |
2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2-phenyl-ethyl)-hydroxy-phosphinoyl]-propionylamino}-3-methyl-pentanoic acid
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| Structure |
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| Formula |
C32H39N2O7P
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| Molecular Weight |
594.645
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| Canonical SMILES |
CCC(C)C(NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C32H39N2O7P/c1-3-23(2)29(31(36)37)34-30(35)27(19-24-13-7-4-8-14-24)22-42(39,40)28(20-25-15-9-5-10-16-25)33-32(38)41-21-26-17-11-6-12-18-26/h4-18,23,27-29H,3,19-22H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)(H,39,40)/t23?,27?,28-,29?/m1/s1
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| InChIKey |
IVJNQRXSUQUWRX-KEKDFHOJSA-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: PT01982, Endothelin-converting enzyme 1
Protein ID: PT01575, Neprilysin