General Information of the Compound
| Compound ID |
CP0864408
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| Compound Name |
(5S,11R)-11-((1H-indol-3-yl)methyl)-7-methyl-5-propyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C30H39N5O4
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| Molecular Weight |
533.673
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C30H39N5O4/c1-3-9-25-30(38)35(2)20-28(36)34-26(18-22-19-33-24-13-6-5-12-23(22)24)29(37)32-15-8-11-21-10-4-7-14-27(21)39-17-16-31-25/h4-7,10,12-14,19,25-26,31,33H,3,8-9,11,15-18,20H2,1-2H3,(H,32,37)(H,34,36)/t25-,26+/m0/s1
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| InChIKey |
GTOMKYIDVDWWME-IZZNHLLZSA-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