General Information of the Compound
| Compound ID |
CP0534328
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| Compound Name |
2-[[(2R)-1-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-[4-(carboxymethyl)phenyl]-1-oxopropan-2-yl]amino]-2-oxoacetic acid
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| Structure |
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| Formula |
C37H43N5O9
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| Molecular Weight |
701.777
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| Canonical SMILES |
NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@@H](Cc1ccc(CC(O)=O)cc1)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
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| InChI |
InChI=1S/C37H43N5O9/c38-30(43)22-29(32(46)39-19-7-11-26-10-6-9-25-8-2-3-12-27(25)26)41-36(51)37(17-4-1-5-18-37)42-33(47)28(40-34(48)35(49)50)20-23-13-15-24(16-14-23)21-31(44)45/h2-3,6,8-10,12-16,28-29H,1,4-5,7,11,17-22H2,(H2,38,43)(H,39,46)(H,40,48)(H,41,51)(H,42,47)(H,44,45)(H,49,50)/t28-,29+/m1/s1
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| InChIKey |
XYXSUXVWOJXCIE-WDYNHAJCSA-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