General Information of the Compound
| Compound ID |
CP0899615
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| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-7,8-dimethyl-1-oxa-4,7,10,13-tetraazacyclooctadec-16-ene-6,9,12-trione
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| Structure |
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| Formula |
C26H40N4O4
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| Molecular Weight |
472.63
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C26H40N4O4/c1-5-19(2)23-26(33)30(4)20(3)24(31)29-22(18-21-12-8-6-9-13-21)25(32)28-14-10-7-11-16-34-17-15-27-23/h6-9,11-13,19-20,22-23,27H,5,10,14-18H2,1-4H3,(H,28,32)(H,29,31)/b11-7-/t19-,20+,22+,23-/m0/s1
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| InChIKey |
LJPGGFOGQXOGDJ-XXGGUUTLSA-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