General Information of the Compound
| Compound ID |
CP0480519
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| Compound Name |
2-[(R)-1-[(S)-2-(3-Adamantan-1-yl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C33H43N5O5
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| Molecular Weight |
589.737
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C33H43N5O5/c1-18(2)9-25(35-32(42)37-33-14-20-10-21(15-33)12-22(11-20)16-33)29(39)34-26(30-36-28(31(40)41)19(3)43-30)13-23-17-38(4)27-8-6-5-7-24(23)27/h5-8,17-18,20-22,25-26H,9-16H2,1-4H3,(H,34,39)(H,40,41)(H2,35,37,42)/t20?,21?,22?,25-,26+,33?/m0/s1
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| InChIKey |
GDOJAPBZYKAXMB-CZAVTBICSA-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