General Information of the Compound
| Compound ID |
CP0958709
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| Compound Name |
N-((R)-1-((S)-1-((S)-3-(biphenyl-4-yl)-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)-3-methyl-1H-indene-2-carboxamide
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| Structure |
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| Formula |
C43H42N4O5
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| Molecular Weight |
694.832
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| Canonical SMILES |
CC1=C(C(=O)N[C@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[C@@]2(C)CO2)Cc2ccccc21
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| InChI |
InChI=1S/C43H42N4O5/c1-26-33-14-8-7-13-31(33)22-35(26)41(50)45-27(2)40(49)47-38(23-32-24-44-36-16-10-9-15-34(32)36)42(51)46-37(39(48)43(3)25-52-43)21-28-17-19-30(20-18-28)29-11-5-4-6-12-29/h4-20,24,27,37-38,44H,21-23,25H2,1-3H3,(H,45,50)(H,46,51)(H,47,49)/t27-,37+,38+,43-/m1/s1
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| InChIKey |
XYEQVKFUJMXIHQ-PGUCRUHCSA-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