General Information of the Compound
| Compound ID |
CP0501924
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| Compound Name |
(R)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)-5-(3-(4-(pyren-1-yl)butanoyl)guanidino)pentanamide
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| Structure |
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| Formula |
C47H45N5O4
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| Molecular Weight |
743.908
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| Canonical SMILES |
NC(NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C47H45N5O4/c48-47(52-41(54)18-8-14-32-21-22-37-24-23-35-15-7-16-36-25-28-39(32)44(37)42(35)36)49-29-9-17-40(45(55)50-30-31-19-26-38(53)27-20-31)51-46(56)43(33-10-3-1-4-11-33)34-12-5-2-6-13-34/h1-7,10-13,15-16,19-28,40,43,53H,8-9,14,17-18,29-30H2,(H,50,55)(H,51,56)(H3,48,49,52,54)/t40-/m1/s1
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| InChIKey |
NFFTZJITISMYMY-RRHRGVEJSA-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