Natural Product: NPC271642

Natural Product ID:  NPC271642
Common Name:   Benzyl(Trimethyl)Azanium;Chloride
IUPAC Name:   benzyl(trimethyl)azanium;chloride
Synonyms:  
Molecular Formula:   C10H16N.ClH
Standard InCHIKey:  KXHPPCXNWTUNSB-UHFFFAOYSA-M
Standard InCHI:  InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
Canonical SMILES:  C[N+](Cc1ccccc1)(C)C.[Cl-]
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO25269 Ganoderma lucidum Species Ganodermataceae Eukaryota TM-MC*
NPO16609 Ganoderma sinense Species Ganodermataceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 7943.3 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 125.9 nM PubChem BioAssay data set
NPT347 Cell Line Lymphoblastoid cells Homo sapiens Potency = 12589.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 1041.8 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 158.5 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 2078.7 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 33.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 43233.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5464.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 48918.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 34341.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 35481.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 60757.8 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC271642 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9857 High Similarity NPC98976
0.9189 High Similarity NPC12857
0.8846 High Similarity NPC104070
0.85 High Similarity NPC169016
0.8493 Intermediate Similarity NPC219246
0.8421 Intermediate Similarity NPC139658
0.84 Intermediate Similarity NPC299134
0.8312 Intermediate Similarity NPC98269
0.8312 Intermediate Similarity NPC325662
0.8235 Intermediate Similarity NPC470926
0.8125 Intermediate Similarity NPC231986
0.8072 Intermediate Similarity NPC258046
0.8026 Intermediate Similarity NPC244738
0.8 Intermediate Similarity NPC229235
0.7927 Intermediate Similarity NPC474088
0.7922 Intermediate Similarity NPC112609
0.7922 Intermediate Similarity NPC113000
0.7922 Intermediate Similarity NPC122327
0.7821 Intermediate Similarity NPC276699
0.7765 Intermediate Similarity NPC473031
0.7711 Intermediate Similarity NPC119677
0.7667 Intermediate Similarity NPC471320
0.7667 Intermediate Similarity NPC471319
0.764 Intermediate Similarity NPC469330
0.764 Intermediate Similarity NPC322040
0.7625 Intermediate Similarity NPC290638
0.7586 Intermediate Similarity NPC470877
0.7571 Intermediate Similarity NPC269586
0.7558 Intermediate Similarity NPC17497
0.7558 Intermediate Similarity NPC305602
0.7556 Intermediate Similarity NPC108339
0.7556 Intermediate Similarity NPC329430
0.7528 Intermediate Similarity NPC473661
0.75 Intermediate Similarity NPC471307
0.75 Intermediate Similarity NPC74936
0.75 Intermediate Similarity NPC209764
0.75 Intermediate Similarity NPC159178
0.75 Intermediate Similarity NPC78041
0.75 Intermediate Similarity NPC141139
0.75 Intermediate Similarity NPC121872
0.7465 Intermediate Similarity NPC65873
0.7465 Intermediate Similarity NPC300345
0.7465 Intermediate Similarity NPC120441
0.7465 Intermediate Similarity NPC212114
0.7447 Intermediate Similarity NPC291610
0.7447 Intermediate Similarity NPC239854
0.7429 Intermediate Similarity NPC149436
0.7429 Intermediate Similarity NPC277704
0.7397 Intermediate Similarity NPC210849
0.7361 Intermediate Similarity NPC8235
0.7349 Intermediate Similarity NPC475289
0.7349 Intermediate Similarity NPC475573
0.7324 Intermediate Similarity NPC198841
0.726 Intermediate Similarity NPC147062
0.726 Intermediate Similarity NPC169110
0.7253 Intermediate Similarity NPC471309
0.7216 Intermediate Similarity NPC474695
0.7209 Intermediate Similarity NPC133162
0.72 Intermediate Similarity NPC50266
0.7162 Intermediate Similarity NPC150196
0.7162 Intermediate Similarity NPC310758
0.7162 Intermediate Similarity NPC54368
0.7162 Intermediate Similarity NPC238023
0.7162 Intermediate Similarity NPC135924
0.7162 Intermediate Similarity NPC248705
0.7123 Intermediate Similarity NPC36357
0.7123 Intermediate Similarity NPC64270
0.7123 Intermediate Similarity NPC114327
0.7105 Intermediate Similarity NPC198023
0.7105 Intermediate Similarity NPC155172
0.7105 Intermediate Similarity NPC32312
0.7079 Intermediate Similarity NPC12429
0.7067 Intermediate Similarity NPC29680
0.7067 Intermediate Similarity NPC22786
0.7065 Intermediate Similarity NPC474974
0.7045 Intermediate Similarity NPC203076
0.7041 Intermediate Similarity NPC476198
0.7013 Intermediate Similarity NPC178527
0.6977 Remote Similarity NPC14326
0.6974 Remote Similarity NPC45756
0.6974 Remote Similarity NPC88566
0.6966 Remote Similarity NPC53492
0.6966 Remote Similarity NPC471638
0.6962 Remote Similarity NPC200936
0.6947 Remote Similarity NPC322598
0.6933 Remote Similarity NPC246588
0.6923 Remote Similarity NPC78154
0.6889 Remote Similarity NPC30445
0.6889 Remote Similarity NPC111233
0.6882 Remote Similarity NPC71140
0.6848 Remote Similarity NPC245259
0.6842 Remote Similarity NPC66517
0.6842 Remote Similarity NPC200745
0.6842 Remote Similarity NPC71009
0.6809 Remote Similarity NPC256452
0.6804 Remote Similarity NPC214200
0.6804 Remote Similarity NPC228400
0.679 Remote Similarity NPC121708
0.679 Remote Similarity NPC125144
0.6778 Remote Similarity NPC262295
0.6778 Remote Similarity NPC60408
0.6768 Remote Similarity NPC469974
0.6753 Remote Similarity NPC21211
0.6753 Remote Similarity NPC113670
0.6742 Remote Similarity NPC3210
0.6711 Remote Similarity NPC45255
0.6709 Remote Similarity NPC6107
0.6709 Remote Similarity NPC52330
0.6709 Remote Similarity NPC267443
0.6705 Remote Similarity NPC134825
0.6702 Remote Similarity NPC7067
0.6667 Remote Similarity NPC202613
0.6667 Remote Similarity NPC110264
0.6667 Remote Similarity NPC471310
0.6667 Remote Similarity NPC291066
0.6667 Remote Similarity NPC164802
0.6667 Remote Similarity NPC472258
0.6667 Remote Similarity NPC471317
0.6633 Remote Similarity NPC289381
0.6633 Remote Similarity NPC155847
0.6633 Remote Similarity NPC474582
0.6632 Remote Similarity NPC161972
0.6632 Remote Similarity NPC303045
0.6632 Remote Similarity NPC58674
0.663 Remote Similarity NPC173991
0.663 Remote Similarity NPC176858
0.6625 Remote Similarity NPC311343
0.6582 Remote Similarity NPC36440
0.6582 Remote Similarity NPC113837
0.6582 Remote Similarity NPC289915
0.6579 Remote Similarity NPC147578
0.6569 Remote Similarity NPC55529
0.6562 Remote Similarity NPC25565
0.6559 Remote Similarity NPC191444
0.6559 Remote Similarity NPC316108
0.6543 Remote Similarity NPC139416
0.6543 Remote Similarity NPC98880
0.6543 Remote Similarity NPC246822
0.6543 Remote Similarity NPC213570
0.6535 Remote Similarity NPC473418
0.6509 Remote Similarity NPC187036
0.6506 Remote Similarity NPC54269
0.6495 Remote Similarity NPC475439
0.6495 Remote Similarity NPC473501
0.6494 Remote Similarity NPC200624
0.6489 Remote Similarity NPC226438
0.6463 Remote Similarity NPC95289
0.6422 Remote Similarity NPC313449
0.6421 Remote Similarity NPC108800
0.642 Remote Similarity NPC239931
0.642 Remote Similarity NPC22760
0.642 Remote Similarity NPC78954
0.642 Remote Similarity NPC82770
0.64 Remote Similarity NPC329375
0.64 Remote Similarity NPC327226
0.6386 Remote Similarity NPC326200
0.6386 Remote Similarity NPC87099
0.6386 Remote Similarity NPC280135
0.6386 Remote Similarity NPC226999
0.6386 Remote Similarity NPC1008
0.6386 Remote Similarity NPC193578
0.6386 Remote Similarity NPC39799
0.6386 Remote Similarity NPC74458
0.6386 Remote Similarity NPC135433
0.6386 Remote Similarity NPC158028
0.6383 Remote Similarity NPC172128
0.6373 Remote Similarity NPC167336
0.6373 Remote Similarity NPC143516
0.6355 Remote Similarity NPC57051
0.6355 Remote Similarity NPC296163
0.6354 Remote Similarity NPC246757
0.6354 Remote Similarity NPC291070
0.6346 Remote Similarity NPC77294
0.6341 Remote Similarity NPC5324
0.6341 Remote Similarity NPC16190
0.6341 Remote Similarity NPC235059
0.6341 Remote Similarity NPC297358
0.6341 Remote Similarity NPC169222
0.6341 Remote Similarity NPC473206
0.633 Remote Similarity NPC313673
0.6327 Remote Similarity NPC311242
0.6311 Remote Similarity NPC471447
0.6311 Remote Similarity NPC130898
0.6311 Remote Similarity NPC474973
0.6311 Remote Similarity NPC474804
0.6311 Remote Similarity NPC45033
0.631 Remote Similarity NPC285679
0.631 Remote Similarity NPC212463
0.6292 Remote Similarity NPC307456
0.6275 Remote Similarity NPC304761
0.6275 Remote Similarity NPC150254
0.6275 Remote Similarity NPC226778
0.6275 Remote Similarity NPC147000
0.6275 Remote Similarity NPC275467
0.6273 Remote Similarity NPC192209
0.6265 Remote Similarity NPC251490
0.6265 Remote Similarity NPC72670
0.6265 Remote Similarity NPC271732
0.6265 Remote Similarity NPC263385
0.625 Remote Similarity NPC316582

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC271642 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.9859 High Similarity NPD603 Approved
0.9459 High Similarity NPD5371 Approved
0.9459 High Similarity NPD5372 Approved
0.9324 High Similarity NPD508 Approved
0.9324 High Similarity NPD507 Approved
0.8974 High Similarity NPD2539 Approved
0.8974 High Similarity NPD2538 Approved
0.8571 High Similarity NPD1052 Approved
0.8571 High Similarity NPD1053 Approved
0.8571 High Similarity NPD1051 Approved
0.8553 High Similarity NPD4147 Approved
0.8553 High Similarity NPD4144 Approved
0.8537 High Similarity NPD588 Approved
0.8537 High Similarity NPD587 Approved
0.8434 Intermediate Similarity NPD5656 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD3000 Approved
0.8235 Intermediate Similarity NPD2998 Approved
0.8235 Intermediate Similarity NPD2997 Approved
0.8205 Intermediate Similarity NPD293 Approved
0.8205 Intermediate Similarity NPD295 Approved
0.8205 Intermediate Similarity NPD296 Approved
0.8171 Intermediate Similarity NPD9505 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD4407 Approved
0.814 Intermediate Similarity NPD4408 Approved
0.814 Intermediate Similarity NPD4405 Approved
0.8125 Intermediate Similarity NPD4027 Approved
0.8125 Intermediate Similarity NPD4026 Approved
0.8125 Intermediate Similarity NPD3035 Approved
0.8101 Intermediate Similarity NPD590 Approved
0.8101 Intermediate Similarity NPD589 Approved
0.8049 Intermediate Similarity NPD5178 Approved
0.8046 Intermediate Similarity NPD4542 Approved
0.8046 Intermediate Similarity NPD4545 Approved
0.8026 Intermediate Similarity NPD9728 Phase 1
0.8025 Intermediate Similarity NPD4701 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD4169 Approved
0.8025 Intermediate Similarity NPD4170 Approved
0.8023 Intermediate Similarity NPD7160 Approved
0.8 Intermediate Similarity NPD297 Approved
0.8 Intermediate Similarity NPD9 Approved
0.7927 Intermediate Similarity NPD831 Approved
0.7927 Intermediate Similarity NPD1800 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD4635 Approved
0.7927 Intermediate Similarity NPD830 Approved
0.7922 Intermediate Similarity NPD80 Approved
0.7922 Intermediate Similarity NPD9593 Approved
0.7922 Intermediate Similarity NPD9594 Approved
0.7922 Intermediate Similarity NPD9592 Approved
0.7922 Intermediate Similarity NPD9590 Approved
0.7922 Intermediate Similarity NPD9589 Approved
0.7922 Intermediate Similarity NPD9591 Approved
0.7922 Intermediate Similarity NPD9588 Approved
0.7882 Intermediate Similarity NPD3345 Approved
0.7857 Intermediate Similarity NPD5252 Clinical (unspecified phase)
0.7841 Intermediate Similarity NPD6548 Approved
0.7841 Intermediate Similarity NPD6549 Approved
0.7831 Intermediate Similarity NPD785 Approved
0.7791 Intermediate Similarity NPD9349 Approved
0.7791 Intermediate Similarity NPD9350 Approved
0.7791 Intermediate Similarity NPD9348 Approved
0.7791 Intermediate Similarity NPD9351 Phase 3
0.7778 Intermediate Similarity NPD5597 Approved
0.7778 Intermediate Similarity NPD3904 Approved
0.7778 Intermediate Similarity NPD3903 Approved
0.7778 Intermediate Similarity NPD3981 Approved
0.7778 Intermediate Similarity NPD5598 Approved
0.7778 Intermediate Similarity NPD3979 Approved
0.7753 Intermediate Similarity NPD5554 Approved
0.7738 Intermediate Similarity NPD2205 Approved
0.7738 Intermediate Similarity NPD2208 Approved
0.7738 Intermediate Similarity NPD5916 Discontinued
0.7692 Intermediate Similarity NPD505 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD5675 Discontinued
0.7667 Intermediate Similarity NPD2005 Discontinued
0.7667 Intermediate Similarity NPD157 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD292 Approved
0.7662 Intermediate Similarity NPD294 Approved
0.7647 Intermediate Similarity NPD4636 Approved
0.7647 Intermediate Similarity NPD4409 Approved
0.7647 Intermediate Similarity NPD4406 Approved
0.764 Intermediate Similarity NPD8 Approved
0.764 Intermediate Similarity NPD243 Approved
0.7619 Intermediate Similarity NPD9395 Approved
0.7558 Intermediate Similarity NPD782 Approved
0.7558 Intermediate Similarity NPD783 Approved
0.7558 Intermediate Similarity NPD781 Approved
0.7558 Intermediate Similarity NPD780 Approved
0.75 Intermediate Similarity NPD3346 Approved
0.75 Intermediate Similarity NPD6499 Approved
0.75 Intermediate Similarity NPD6498 Approved
0.75 Intermediate Similarity NPD3344 Approved
0.747 Intermediate Similarity NPD472 Approved
0.7447 Intermediate Similarity NPD813 Approved
0.7444 Intermediate Similarity NPD735 Approved
0.7444 Intermediate Similarity NPD736 Approved
0.7442 Intermediate Similarity NPD3099 Discontinued
0.7419 Intermediate Similarity NPD787 Suspended
0.7412 Intermediate Similarity NPD4544 Approved
0.7368 Intermediate Similarity NPD1396 Approved
0.7356 Intermediate Similarity NPD2002 Discontinued
0.7356 Intermediate Similarity NPD3428 Approved
0.7356 Intermediate Similarity NPD187 Approved
0.7356 Intermediate Similarity NPD4145 Approved
0.7356 Intermediate Similarity NPD3426 Approved
0.7356 Intermediate Similarity NPD4146 Approved
0.7349 Intermediate Similarity NPD260 Discontinued
0.7333 Intermediate Similarity NPD6690 Approved
0.7333 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD9397 Approved
0.7317 Intermediate Similarity NPD79 Approved
0.7317 Intermediate Similarity NPD9393 Approved
0.7317 Intermediate Similarity NPD9564 Approved
0.7317 Intermediate Similarity NPD9563 Approved
0.7303 Intermediate Similarity NPD5915 Approved
0.7292 Intermediate Similarity NPD2937 Phase 1
0.7292 Intermediate Similarity NPD2939 Approved
0.7263 Intermediate Similarity NPD4734 Approved
0.7263 Intermediate Similarity NPD4735 Approved
0.7253 Intermediate Similarity NPD1080 Approved
0.7241 Intermediate Similarity NPD305 Approved
0.7241 Intermediate Similarity NPD304 Approved
0.7234 Intermediate Similarity NPD1946 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD4543 Discontinued
0.7209 Intermediate Similarity NPD3429 Approved
0.7209 Intermediate Similarity NPD3427 Approved
0.7191 Intermediate Similarity NPD771 Phase 3
0.7188 Intermediate Similarity NPD5103 Approved
0.7174 Intermediate Similarity NPD2655 Approved
0.7174 Intermediate Similarity NPD2656 Approved
0.7143 Intermediate Similarity NPD1064 Approved
0.7143 Intermediate Similarity NPD1065 Approved
0.7143 Intermediate Similarity NPD3546 Approved
0.7143 Intermediate Similarity NPD3545 Approved
0.7113 Intermediate Similarity NPD4937 Approved
0.7113 Intermediate Similarity NPD4936 Approved
0.7097 Intermediate Similarity NPD2507 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6472 Discontinued
0.7093 Intermediate Similarity NPD4000 Phase 3
0.7093 Intermediate Similarity NPD2001 Discontinued
0.7083 Intermediate Similarity NPD1419 Approved
0.7083 Intermediate Similarity NPD1417 Approved
0.7071 Intermediate Similarity NPD4115 Approved
0.7071 Intermediate Similarity NPD5253 Approved
0.7071 Intermediate Similarity NPD4114 Approved
0.7065 Intermediate Similarity NPD2878 Approved
0.7041 Intermediate Similarity NPD959 Discontinued
0.7021 Intermediate Similarity NPD1099 Approved
0.7021 Intermediate Similarity NPD1100 Approved
0.701 Intermediate Similarity NPD2244 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD154 Discontinued
0.7 Intermediate Similarity NPD1721 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8010 Approved
0.7 Intermediate Similarity NPD8009 Approved
0.6989 Remote Similarity NPD4094 Approved
0.6979 Remote Similarity NPD1916 Discontinued
0.697 Remote Similarity NPD7170 Discontinued
0.6947 Remote Similarity NPD5832 Phase 3
0.6941 Remote Similarity NPD1617 Discontinued
0.6939 Remote Similarity NPD3407 Phase 3
0.6931 Remote Similarity NPD6236 Approved
0.6931 Remote Similarity NPD7120 Approved
0.6931 Remote Similarity NPD6235 Approved
0.6931 Remote Similarity NPD7633 Discontinued
0.6931 Remote Similarity NPD4116 Approved
0.6915 Remote Similarity NPD1738 Approved
0.6915 Remote Similarity NPD5964 Phase 2
0.6915 Remote Similarity NPD5963 Phase 2
0.69 Remote Similarity NPD6299 Approved
0.69 Remote Similarity NPD6300 Approved
0.6889 Remote Similarity NPD9186 Approved
0.6889 Remote Similarity NPD9184 Approved
0.6882 Remote Similarity NPD3980 Approved
0.6882 Remote Similarity NPD3982 Approved
0.6842 Remote Similarity NPD4655 Approved
0.6842 Remote Similarity NPD4657 Approved
0.6832 Remote Similarity NPD2679 Approved
0.6832 Remote Similarity NPD2678 Approved
0.6804 Remote Similarity NPD1795 Discontinued
0.6796 Remote Similarity NPD2038 Approved
0.6796 Remote Similarity NPD2999 Approved
0.6796 Remote Similarity NPD2039 Approved
0.6796 Remote Similarity NPD3001 Approved
0.6774 Remote Similarity NPD1812 Approved
0.6774 Remote Similarity NPD1814 Approved
0.6771 Remote Similarity NPD1724 Approved
0.6771 Remote Similarity NPD4263 Approved
0.6771 Remote Similarity NPD4117 Approved
0.6771 Remote Similarity NPD4813 Approved
0.6768 Remote Similarity NPD489 Approved
0.6768 Remote Similarity NPD488 Approved
0.6753 Remote Similarity NPD675 Discontinued
0.6739 Remote Similarity NPD4728 Approved
0.6735 Remote Similarity NPD854 Approved
0.6735 Remote Similarity NPD855 Approved
0.6735 Remote Similarity NPD4803 Discontinued
0.6735 Remote Similarity NPD5753 Discontinued
0.6733 Remote Similarity NPD3420 Clinical (unspecified phase)
0.6733 Remote Similarity NPD2243 Clinical (unspecified phase)
0.6731 Remote Similarity NPD7121 Approved
0.6731 Remote Similarity NPD3066 Phase 2

Structure

External Identifiers

PubChem CID   5963
ChEMBL   CHEMBL1372143
ZINC  

Physicochemical Properties

Molecular Weight:  150.13
ALogP:  -1.1254
MLogP:  2.45
XLogP:  2.78
# Rotatable Bonds:  5
Polar Surface Area:  0
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  11

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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