General Information of the Compound
| Compound ID |
CP0420036
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C40H44N6O5
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| Molecular Weight |
688.829
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C40H44N6O5/c1-26(2)20-32(36(47)40(3)25-51-40)42-37(48)33(22-27-12-6-4-7-13-27)43-38(49)34(24-29-18-19-30-16-10-11-17-31(30)21-29)44-39(50)35(45-46-41)23-28-14-8-5-9-15-28/h4-19,21,26,32-35H,20,22-25H2,1-3H3,(H,42,48)(H,43,49)(H,44,50)/t32-,33-,34-,35-,40+/m0/s1
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| InChIKey |
NBKNDOCXQDGEFP-MDAOHFTBSA-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