General Information of the Compound
| Compound ID |
CP0864942
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| Compound Name |
(8S,18S)-8-sec-butyl-18-(3-chlorobenzyl)-6,9,13,16,19-pentaazaspiro[4.15]icosane-7,17,20-trione
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| Structure |
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| Formula |
C26H40ClN5O3
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| Molecular Weight |
506.091
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCNCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C26H40ClN5O3/c1-3-18(2)22-24(34)32-26(10-4-5-11-26)25(35)31-21(17-19-8-6-9-20(27)16-19)23(33)30-15-14-28-12-7-13-29-22/h6,8-9,16,18,21-22,28-29H,3-5,7,10-15,17H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t18-,21-,22-/m0/s1
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| InChIKey |
QVRSOMIWCSDPMA-NYVOZVTQSA-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