General Information of the Compound
| Compound ID |
CP0955124
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| Compound Name |
(S)-3-(4-methoxyphenyl)-N-((S)-1-((R)-2-methyloxiran-2-yl)-3-(naphthalen-1-yl)-1-oxopropan-2-yl)-2-((S)-2-(2-morpholinoacetamido)propanamido)propanamide
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| Structure |
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| Formula |
C35H42N4O7
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| Molecular Weight |
630.742
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C35H42N4O7/c1-23(36-31(40)21-39-15-17-45-18-16-39)33(42)38-30(19-24-11-13-27(44-3)14-12-24)34(43)37-29(32(41)35(2)22-46-35)20-26-9-6-8-25-7-4-5-10-28(25)26/h4-14,23,29-30H,15-22H2,1-3H3,(H,36,40)(H,37,43)(H,38,42)/t23-,29-,30-,35+/m0/s1
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| InChIKey |
WBZNQIORCAANQV-TZMVIOPTSA-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