General Information of the Compound
| Compound ID |
CP0945962
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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-(4-methoxyphenyl)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)-3-methyl-1H-indene-2-carboxamide
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| Structure |
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| Formula |
C42H43N3O6
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| Molecular Weight |
685.821
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)C2=C(C)c3ccccc3C2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C42H43N3O6/c1-26-34-13-9-8-12-32(34)24-35(26)40(48)43-27(2)39(47)45-37(23-29-16-20-33(50-4)21-17-29)41(49)44-36(38(46)42(3)25-51-42)22-28-14-18-31(19-15-28)30-10-6-5-7-11-30/h5-21,27,36-37H,22-25H2,1-4H3,(H,43,48)(H,44,49)(H,45,47)/t27-,36+,37+,42-/m1/s1
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| InChIKey |
HDSNACPCJDLFHA-GPPFWVPMSA-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