General Information of the Compound
| Compound ID |
CP0446491
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-azido-3-phenylpropanoyl]amino]-2-cyclohexylacetyl]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 |
C35H46N6O5
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| Molecular Weight |
630.79
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C1CCCCC1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C35H46N6O5/c1-23(2)19-27(31(42)35(3)22-46-35)37-32(43)28(20-24-13-7-4-8-14-24)38-34(45)30(26-17-11-6-12-18-26)39-33(44)29(40-41-36)21-25-15-9-5-10-16-25/h4-5,7-10,13-16,23,26-30H,6,11-12,17-22H2,1-3H3,(H,37,43)(H,38,45)(H,39,44)/t27-,28-,29-,30-,35+/m0/s1
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| InChIKey |
WLNZGVMTFKAFGW-KRCRVYNFSA-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