General Information of the Compound
| Compound ID |
CP0502235
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| Compound Name |
2-[(R)-1-{(S)-2-[(2,3-Dihydro-indole-1-carbonyl)-amino]-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 |
C31H35N5O5
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| Molecular Weight |
557.651
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCc2ccccc12)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C31H35N5O5/c1-18(2)15-23(33-31(40)36-14-13-20-9-5-7-11-25(20)36)28(37)32-24(29-34-27(30(38)39)19(3)41-29)16-21-17-35(4)26-12-8-6-10-22(21)26/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m0/s1
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| InChIKey |
FHXIXSZXNFMTLA-BJKOFHAPSA-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