General Information of the Compound
| Compound ID |
CP0509522
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| Compound Name |
5-Methyl-2-((R)-2-(1-methyl-1H-indol-3-yl)-1-{(S)-4-methyl-2-[(1-oxa-4-aza-spiro[4.5]decane-4-carbonyl)-amino]-pentanoylamino}-ethyl)-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C31H41N5O6
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| Molecular Weight |
579.698
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)N1CCOC11CCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C31H41N5O6/c1-19(2)16-23(33-30(40)36-14-15-41-31(36)12-8-5-9-13-31)27(37)32-24(28-34-26(29(38)39)20(3)42-28)17-21-18-35(4)25-11-7-6-10-22(21)25/h6-7,10-11,18-19,23-24H,5,8-9,12-17H2,1-4H3,(H,32,37)(H,33,40)(H,38,39)/t23-,24+/m0/s1
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| InChIKey |
JICVNKHGPWAGMS-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