General Information of the Compound
| Compound ID |
CP0913568
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| Compound Name |
(8S,20S)-8-sec-butyl-20-(3-chlorobenzyl)-6,9,18,21-tetraazaspiro[4.17]docos-14-ene-7,19,22-trione
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| Structure |
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| Formula |
C29H43ClN4O3
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| Molecular Weight |
531.141
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCC/C=C/CCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C29H43ClN4O3/c1-3-21(2)25-27(36)34-29(15-8-9-16-29)28(37)33-24(20-22-13-12-14-23(30)19-22)26(35)32-18-11-7-5-4-6-10-17-31-25/h5,7,12-14,19,21,24-25,31H,3-4,6,8-11,15-18,20H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/b7-5+/t21-,24-,25-/m0/s1
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| InChIKey |
RAIDCVYWVDQRQZ-ONGNPWDRSA-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