General Information of the Compound
| Compound ID |
CP0893997
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| Compound Name |
3-((5S,8R,11R)-11-benzyl-6,9,12-trioxo-5-propyl-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecin-8-yl)propanoic acid
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| Structure |
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| Formula |
C30H40N4O6
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| Molecular Weight |
552.672
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC(=O)O)NC1=O
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| InChI |
InChI=1S/C30H40N4O6/c1-2-9-23-29(38)33-24(15-16-27(35)36)30(39)34-25(20-21-10-4-3-5-11-21)28(37)32-17-8-13-22-12-6-7-14-26(22)40-19-18-31-23/h3-7,10-12,14,23-25,31H,2,8-9,13,15-20H2,1H3,(H,32,37)(H,33,38)(H,34,39)(H,35,36)/t23-,24+,25+/m0/s1
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| InChIKey |
RQHAZYGRGQPNHH-ISJGIBHGSA-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