General Information of the Compound
| Compound ID |
CP0463639
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| Compound Name |
3-Amino-N-{(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-benzamide
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| Structure |
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| Formula |
C31H44N8O4
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| Molecular Weight |
592.745
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccc(N)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C31H44N8O4/c32-23-14-7-13-22(19-23)28(41)39-26(18-21-11-5-2-6-12-21)30(43)37-24(15-8-16-36-31(34)35)29(42)38-25(27(33)40)17-20-9-3-1-4-10-20/h1,3-4,7,9-10,13-14,19,21,24-26H,2,5-6,8,11-12,15-18,32H2,(H2,33,40)(H,37,43)(H,38,42)(H,39,41)(H4,34,35,36)/t24-,25-,26-/m0/s1
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| InChIKey |
KSLLOGQVCHDWED-GSDHBNRESA-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