General Information of the Compound
| Compound ID |
CP0540693
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-3-(4-phenylphenyl)propanoyl]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 |
C42H46N6O5
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| Molecular Weight |
714.867
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C42H46N6O5/c1-28(2)23-34(38(49)42(3)27-53-42)44-39(50)35(24-29-13-7-4-8-14-29)45-40(51)36(25-31-19-21-33(22-20-31)32-17-11-6-12-18-32)46-41(52)37(47-48-43)26-30-15-9-5-10-16-30/h4-22,28,34-37H,23-27H2,1-3H3,(H,44,50)(H,45,51)(H,46,52)/t34-,35-,36-,37-,42+/m0/s1
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| InChIKey |
NBPMOFPYPKFAAE-IPLFIEEMSA-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