General Information of the Compound
| Compound ID |
CP0514169
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| Compound Name |
(R)-N-(N-(4-(2,2-diphenylacetamido)-5-(4-hydroxybenzylamino)-5-oxopentyl)carbamimidoyl)palmitamide
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| Structure |
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| Formula |
C43H61N5O4
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| Molecular Weight |
711.992
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C43H61N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-39(50)48-43(44)45-32-21-26-38(41(51)46-33-34-28-30-37(49)31-29-34)47-42(52)40(35-22-16-14-17-23-35)36-24-18-15-19-25-36/h14-19,22-25,28-31,38,40,49H,2-13,20-21,26-27,32-33H2,1H3,(H,46,51)(H,47,52)(H3,44,45,48,50)/t38-/m1/s1
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| InChIKey |
JAZSPHIEVIZDQO-KXQOOQHDSA-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