General Information of the Compound
| Compound ID |
CP0528757
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| Compound Name |
Biphenyl-4-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-amide
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| Structure |
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| Formula |
C37H47N7O4
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| Molecular Weight |
653.828
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C37H47N7O4/c38-33(45)31(23-25-11-4-1-5-12-25)43-35(47)30(17-10-22-41-37(39)40)42-36(48)32(24-26-13-6-2-7-14-26)44-34(46)29-20-18-28(19-21-29)27-15-8-3-9-16-27/h1,3-5,8-9,11-12,15-16,18-21,26,30-32H,2,6-7,10,13-14,17,22-24H2,(H2,38,45)(H,42,48)(H,43,47)(H,44,46)(H4,39,40,41)/t30-,31-,32-/m0/s1
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| InChIKey |
FJRNUCMNLNLNSC-CPCREDONSA-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