General Information of the Compound
| Compound ID |
CP0915643
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| Compound Name |
(8S,19S)-8-sec-butyl-19-(3-chlorobenzyl)-6,9,17,20-tetraazaspiro[4.16]henicosane-7,18,21-trione
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| Structure |
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| Formula |
C28H43ClN4O3
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| Molecular Weight |
519.13
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C28H43ClN4O3/c1-3-20(2)24-26(35)33-28(14-7-8-15-28)27(36)32-23(19-21-12-11-13-22(29)18-21)25(34)31-17-10-6-4-5-9-16-30-24/h11-13,18,20,23-24,30H,3-10,14-17,19H2,1-2H3,(H,31,34)(H,32,36)(H,33,35)/t20-,23-,24-/m0/s1
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| InChIKey |
RFYZZXTYMUWROZ-OYDLWJJNSA-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