General Information of the Compound
| Compound ID |
CP0540677
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| Compound Name |
(2S)-3-cyclohexyl-N-[(2S)-3-(4-methoxyphenyl)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-[(2-morpholin-4-ylacetyl)amino]propanamide
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| Structure |
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| Formula |
C34H52N4O7
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| Molecular Weight |
628.811
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](CC2CCCCC2)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C34H52N4O7/c1-23(2)18-27(31(40)34(3)22-45-34)36-33(42)29(20-25-10-12-26(43-4)13-11-25)37-32(41)28(19-24-8-6-5-7-9-24)35-30(39)21-38-14-16-44-17-15-38/h10-13,23-24,27-29H,5-9,14-22H2,1-4H3,(H,35,39)(H,36,42)(H,37,41)/t27-,28-,29-,34+/m0/s1
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| InChIKey |
YSDAZVGHTJWUHH-GDDXUJBHSA-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