General Information of the Compound
| Compound ID |
CP0901817
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| Compound Name |
(8S,18S)-18-benzyl-8-isobutyl-6,9,16,19-tetraazaspiro[4.15]icos-12-ene-7,17,20-trione
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| Structure |
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| Formula |
C27H40N4O3
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| Molecular Weight |
468.642
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| Canonical SMILES |
CC(C)C[C@@H]1NCC/C=C\CCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C27H40N4O3/c1-20(2)18-22-25(33)31-27(14-8-9-15-27)26(34)30-23(19-21-12-6-5-7-13-21)24(32)29-17-11-4-3-10-16-28-22/h3-7,12-13,20,22-23,28H,8-11,14-19H2,1-2H3,(H,29,32)(H,30,34)(H,31,33)/b4-3-/t22-,23-/m0/s1
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| InChIKey |
JOQBLLCJQKVWJZ-ZLRFXFKDSA-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