General Information of the Compound
| Compound ID |
CP0515823
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| Compound Name |
2-[(R)-1-[(S)-2-(3-Adamantan-2-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)NC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C33H43N5O5/c1-17(2)9-25(35-33(42)37-29-21-11-19-10-20(13-21)14-22(29)12-19)30(39)34-26(31-36-28(32(40)41)18(3)43-31)15-23-16-38(4)27-8-6-5-7-24(23)27/h5-8,16-17,19-22,25-26,29H,9-15H2,1-4H3,(H,34,39)(H,40,41)(H2,35,37,42)/t19?,20?,21?,22?,25-,26+,29?/m0/s1
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| InChIKey |
TUXSIOWRGPBJOV-PLDAEJBMSA-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