General Information of the Compound
| Compound ID |
CP0090232
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| Compound Name |
N-[(1R)-1-[[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
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| Structure |
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| Formula |
C30H38N6O3
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| Molecular Weight |
530.673
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| Canonical SMILES |
CC(C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C30H38N6O3/c1-18(2)13-27(37)35-26(15-20-17-33-24-12-8-6-10-22(20)24)36-28(38)25(34-29(39)30(3,4)31)14-19-16-32-23-11-7-5-9-21(19)23/h5-12,16-18,25-26,32-33H,13-15,31H2,1-4H3,(H,34,39)(H,35,37)(H,36,38)/t25-,26-/m1/s1
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| InChIKey |
VGGXXSMWIWPDKM-CLJLJLNGSA-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