General Information of the Compound
| Compound ID |
CP0945397
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| Compound Name |
(6S,12S)-6-benzyl-12-isobutyl-spiro[4,7,10,13-tetrazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-9,1'-cyclopentane]-5,8,11-trione
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| Structure |
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| Formula |
C30H40N4O3
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| Molecular Weight |
504.675
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| Canonical SMILES |
CC(C)C[C@@H]1NCc2cccc(c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C30H40N4O3/c1-21(2)17-25-28(36)34-30(14-6-7-15-30)29(37)33-26(19-22-9-4-3-5-10-22)27(35)31-16-13-23-11-8-12-24(18-23)20-32-25/h3-5,8-12,18,21,25-26,32H,6-7,13-17,19-20H2,1-2H3,(H,31,35)(H,33,37)(H,34,36)/t25-,26-/m0/s1
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| InChIKey |
OQXIWQBTLCAYGG-UIOOFZCWSA-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