General Information of the Compound
| Compound ID |
CP0875583
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| Compound Name |
(6S,12S)-6-benzyl-12-isobutyl-spiro[4,7,10,13-tetrazabicyclo[13.2.2]nonadeca-1(17),15,18-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]1NCc2ccc(cc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C30H40N4O3/c1-21(2)18-25-28(36)34-30(15-6-7-16-30)29(37)33-26(19-23-8-4-3-5-9-23)27(35)31-17-14-22-10-12-24(13-11-22)20-32-25/h3-5,8-13,21,25-26,32H,6-7,14-20H2,1-2H3,(H,31,35)(H,33,37)(H,34,36)/t25-,26-/m0/s1
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| InChIKey |
VXIHFGOLUUPARC-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