General Information of the Compound
| Compound ID |
CP0895927
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| Compound Name |
(2R)-6-amino-2-((R)-2-((R)-2-((R)-2-amino-3-phenylpropanamido)-3-phenylpropanamido)-4-methylpentanamido)-N-(2-(2-(2,5-dioxo-1-(4-(3-oxo-3-(2-oxoazetidin-1-yl)propyl)phenyl)pyrrolidin-3-ylthio)ethylamino)-2-oxoethyl)hexanamide
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| Structure |
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| Formula |
C50H65N9O9S
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| Molecular Weight |
968.191
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)NCC(=O)NCCSC1CC(=O)N(c2ccc(CCC(=O)N3CCC3=O)cc2)C1=O
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| InChI |
InChI=1S/C50H65N9O9S/c1-32(2)27-39(57-49(67)40(29-35-13-7-4-8-14-35)56-46(64)37(52)28-34-11-5-3-6-12-34)48(66)55-38(15-9-10-23-51)47(65)54-31-42(60)53-24-26-69-41-30-45(63)59(50(41)68)36-19-16-33(17-20-36)18-21-43(61)58-25-22-44(58)62/h3-8,11-14,16-17,19-20,32,37-41H,9-10,15,18,21-31,51-52H2,1-2H3,(H,53,60)(H,54,65)(H,55,66)(H,56,64)(H,57,67)/t37-,38-,39-,40-,41?/m1/s1
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| InChIKey |
GRVHLOFNZFEFOG-PCHRRQJLSA-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