General Information of the Compound
| Compound ID |
CP0916450
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| Compound Name |
(S)-2-[(S)-3-Cyclohexyl-2-((E)-3-pyridin-3-yl-acryloylamino)-propionylamino]-5-guanidino-pentanoic acid ((S)-1-carbamoyl-2-phenyl-ethyl)-amide
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| Structure |
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| Formula |
C32H44N8O4
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| Molecular Weight |
604.756
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| Canonical SMILES |
N=C(N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)/C=C/c1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H44N8O4/c33-29(42)26(19-22-9-3-1-4-10-22)40-30(43)25(14-8-18-37-32(34)35)39-31(44)27(20-23-11-5-2-6-12-23)38-28(41)16-15-24-13-7-17-36-21-24/h1,3-4,7,9-10,13,15-17,21,23,25-27H,2,5-6,8,11-12,14,18-20H2,(H2,33,42)(H,38,41)(H,39,44)(H,40,43)(H4,34,35,37)/b16-15+/t25-,26-,27-/m0/s1
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| InChIKey |
GSMDQCNNWLNPSR-XBVLGBTFSA-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