General Information of the Compound
| Compound ID |
CP0875586
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| Compound Name |
(8S,20S)-8-sec-butyl-20-(3-chlorobenzyl)-12-oxa-6,9,18,21-tetraazaspiro[4.17]docos-14-ene-7,19,22-trione
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| Structure |
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| Formula |
C28H41ClN4O4
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| Molecular Weight |
533.113
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOC/C=C\CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C28H41ClN4O4/c1-3-20(2)24-26(35)33-28(12-5-6-13-28)27(36)32-23(19-21-10-9-11-22(29)18-21)25(34)31-14-7-4-8-16-37-17-15-30-24/h4,8-11,18,20,23-24,30H,3,5-7,12-17,19H2,1-2H3,(H,31,34)(H,32,36)(H,33,35)/b8-4-/t20-,23-,24-/m0/s1
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| InChIKey |
LVCSJDKYRRVFDH-BBEZEYBKSA-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