General Information of the Compound
| Compound ID |
CP0498871
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| Compound Name |
(R)-5-(3-(4-aminobutyl)-1-carbamimidoylureido)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)pentanamide
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| Structure |
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| Formula |
C32H41N7O4
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| Molecular Weight |
587.725
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| Canonical SMILES |
NCCCCNC(=O)N(CCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)C(N)=N
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| InChI |
InChI=1S/C32H41N7O4/c33-19-7-8-20-36-32(43)39(31(34)35)21-9-14-27(29(41)37-22-23-15-17-26(40)18-16-23)38-30(42)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-6,10-13,15-18,27-28,40H,7-9,14,19-22,33H2,(H3,34,35)(H,36,43)(H,37,41)(H,38,42)/t27-/m1/s1
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| InChIKey |
CJKVLQSBLPTZEI-HHHXNRCGSA-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