General Information of the Compound
| Compound ID |
CP0509277
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| Compound Name |
N-[(1R)-2-(1H-indol-3-yl)-1-[[(2R)-3-(1H-indol-3-yl)-2-[[2-methyl-2-(methylamino)propanoyl]amino]propanoyl]amino]ethyl]-3-methylbutanamide
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| Structure |
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| Formula |
C31H40N6O3
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| Molecular Weight |
544.7
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| Canonical SMILES |
CNC(C)(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C
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| InChI |
InChI=1S/C31H40N6O3/c1-19(2)14-28(38)36-27(16-21-18-34-25-13-9-7-11-23(21)25)37-29(39)26(35-30(40)31(3,4)32-5)15-20-17-33-24-12-8-6-10-22(20)24/h6-13,17-19,26-27,32-34H,14-16H2,1-5H3,(H,35,40)(H,36,38)(H,37,39)/t26-,27-/m1/s1
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| InChIKey |
RIKBUPGGGKOGAG-KAYWLYCHSA-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