General Information of the Compound
| Compound ID |
CP0945819
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| Compound Name |
(S)-N-((S)-3-(biphenyl-4-yl)-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)-3-(1H-indol-3-yl)-2-((R)-2-(2-morpholinoacetamido)propanamido)propanamide
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| Structure |
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| Formula |
C38H43N5O6
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| Molecular Weight |
665.791
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| Canonical SMILES |
C[C@@H](NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)[C@@]1(C)CO1
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| InChI |
InChI=1S/C38H43N5O6/c1-25(40-34(44)23-43-16-18-48-19-17-43)36(46)42-33(21-29-22-39-31-11-7-6-10-30(29)31)37(47)41-32(35(45)38(2)24-49-38)20-26-12-14-28(15-13-26)27-8-4-3-5-9-27/h3-15,22,25,32-33,39H,16-21,23-24H2,1-2H3,(H,40,44)(H,41,47)(H,42,46)/t25-,32+,33+,38-/m1/s1
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| InChIKey |
ZYJPXEQQIXMELT-CWUYZBNHSA-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