General Information of the Compound
| Compound ID |
CP0952678
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| Compound Name |
(5S,11S)-11-benzyl-5-isopropyl-2,3,4,4',5,5',10,11,13,14-decahydro-2'H-spiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,3'-furan]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C30H38N4O5
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| Molecular Weight |
534.657
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| Canonical SMILES |
CC(C)[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCOC2)NC1=O
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| InChI |
InChI=1S/C30H38N4O5/c1-21(2)26-28(36)34-30(14-17-38-20-30)29(37)33-24(19-22-9-4-3-5-10-22)27(35)32-15-8-12-23-11-6-7-13-25(23)39-18-16-31-26/h3-13,21,24,26,31H,14-20H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/b12-8-/t24-,26-,30?/m0/s1
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| InChIKey |
XNOBPNLDUUBNSH-PNNGJHNLSA-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