General Information of the Compound
| Compound ID |
CP0573402
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| Compound Name |
Biphenylene-2-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 |
C37H45N7O4
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| Molecular Weight |
651.812
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2-c3ccccc3-c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C37H45N7O4/c38-33(45)31(20-23-10-3-1-4-11-23)43-35(47)30(16-9-19-41-37(39)40)42-36(48)32(21-24-12-5-2-6-13-24)44-34(46)25-17-18-28-26-14-7-8-15-27(26)29(28)22-25/h1,3-4,7-8,10-11,14-15,17-18,22,24,30-32H,2,5-6,9,12-13,16,19-21H2,(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 |
WDMDPNVILMXMEN-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