General Information of the Compound
| Compound ID |
CP0955125
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| Compound Name |
N-((R)-1-((S)-1-((S)-1-cyclohexyl-4-(methylsulfonyl)but-3-en-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 |
C36H44N4O5S
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| Molecular Weight |
644.838
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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](/C=C/S(C)(=O)=O)CC2CCCCC2)Cc2ccccc21
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| InChI |
InChI=1S/C36H44N4O5S/c1-23-29-14-8-7-13-26(29)20-31(23)35(42)38-24(2)34(41)40-33(21-27-22-37-32-16-10-9-15-30(27)32)36(43)39-28(17-18-46(3,44)45)19-25-11-5-4-6-12-25/h7-10,13-18,22,24-25,28,33,37H,4-6,11-12,19-21H2,1-3H3,(H,38,42)(H,39,43)(H,40,41)/b18-17+/t24-,28-,33+/m1/s1
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| InChIKey |
DPGYONSSUIOORQ-MLOMRDSWSA-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