Natural Product: NPC241456

Natural Product ID:  NPC241456
Common Name:   Jaborosalactone 46
IUPAC Name:  
Synonyms:   Jaborosalactone 46
Molecular Formula:   C28H36O7
Standard InCHIKey:  DXIYHLOCLKPYLY-DUCPVMFESA-N
Standard InCHI:  InChI=1S/C28H36O7/c1-14-12-27(34-22(30)15(14)2)16(3)25(31)10-8-18-17-11-21-26(33-21)9-6-7-20(29)23(26,4)19(17)13-28(32,35-27)24(18,25)5/h6-7,16-19,21,31-32H,8-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25+,26+,27+,28-/m0/s1
Canonical SMILES:  CC1=C(C)C(=O)O[C@]2(C1)O[C@@]1(O)C[C@H]3[C@H]([C@H]4[C@]1([C@@]([C@@H]2C)(O)CC4)C)C[C@@H]1[C@]2([C@]3(C)C(=O)C=CC2)O1
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
NPO14324 Lopholaena segmentata Species Asteraceae Eukaryota UNPD*
NPO27896 Malacosoma californicum Species Lasiocampidae Eukaryota UNPD*
NPO15929 Corydalis ledebouriana Species Papaveraceae Eukaryota UNPD*
NPO17080 Melicope patulinervia Species Rutaceae Eukaryota UNPD*
NPO13821 Halophila stipulacea Species Hydrocharitaceae Eukaryota UNPD*
NPO17008 Cephalaria coriacea Species Caprifoliaceae Eukaryota UNPD*
NPO15768 Lyonia ovalifolia Species Ericaceae Eukaryota UNPD*
NPO10240 Canarium commun Species Strombidae Eukaryota UNPD*
NPO25879 Calophyllum soulattri Species Calophyllaceae Eukaryota UNPD*
NPO14823 Pinus reflexa Species Pinaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 3500 nM 20438092
NPT2 Others Unspecified GI50 = 2900 nM 20438092
NPT83 Cell Line MCF7 Homo sapiens GI50 = 2800 nM 20438092
NPT396 Cell Line T47D Homo sapiens GI50 = 3700 nM 20438092
NPT134 Cell Line SK-BR-3 Homo sapiens GI50 = 2500 nM 20438092

  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 NPC241456 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
1.0 High Similarity NPC32868
0.9912 High Similarity NPC204812
0.9328 High Similarity NPC287423
0.9304 High Similarity NPC113448
0.9224 High Similarity NPC476960
0.8992 High Similarity NPC170538
0.8917 High Similarity NPC469789
0.8917 High Similarity NPC11895
0.8871 High Similarity NPC231240
0.8843 High Similarity NPC8369
0.8843 High Similarity NPC81736
0.8843 High Similarity NPC172154
0.8824 High Similarity NPC476962
0.8824 High Similarity NPC476961
0.88 High Similarity NPC316915
0.8793 High Similarity NPC122056
0.879 High Similarity NPC173347
0.8783 High Similarity NPC470960
0.878 High Similarity NPC473620
0.877 High Similarity NPC473635
0.877 High Similarity NPC293112
0.875 High Similarity NPC67569
0.8739 High Similarity NPC264954
0.8739 High Similarity NPC475520
0.8718 High Similarity NPC470953
0.871 High Similarity NPC473593
0.871 High Similarity NPC476966
0.8689 High Similarity NPC8374
0.8678 High Similarity NPC470265
0.8678 High Similarity NPC23786
0.8667 High Similarity NPC474370
0.8655 High Similarity NPC473720
0.8655 High Similarity NPC329736
0.8629 High Similarity NPC245094
0.8629 High Similarity NPC311534
0.8595 High Similarity NPC473256
0.8595 High Similarity NPC470878
0.8595 High Similarity NPC46570
0.8583 High Similarity NPC248703
0.8583 High Similarity NPC473203
0.8583 High Similarity NPC61520
0.8571 High Similarity NPC140055
0.8571 High Similarity NPC286528
0.8571 High Similarity NPC20302
0.8571 High Similarity NPC167606
0.8571 High Similarity NPC239273
0.8571 High Similarity NPC470959
0.8571 High Similarity NPC476965
0.8571 High Similarity NPC470492
0.8571 High Similarity NPC471855
0.8548 High Similarity NPC42399
0.8548 High Similarity NPC473253
0.8547 High Similarity NPC476163
0.8537 High Similarity NPC3381
0.8525 High Similarity NPC107493
0.8525 High Similarity NPC153700
0.8525 High Similarity NPC269642
0.8525 High Similarity NPC88326
0.85 High Similarity NPC709
0.85 High Similarity NPC50774
0.85 High Similarity NPC153440
0.8487 Intermediate Similarity NPC270929
0.8487 Intermediate Similarity NPC190286
0.8487 Intermediate Similarity NPC476963
0.8455 Intermediate Similarity NPC120724
0.843 Intermediate Similarity NPC473270
0.843 Intermediate Similarity NPC5292
0.843 Intermediate Similarity NPC475041
0.843 Intermediate Similarity NPC473274
0.8417 Intermediate Similarity NPC312824
0.8417 Intermediate Similarity NPC243065
0.8417 Intermediate Similarity NPC183580
0.8417 Intermediate Similarity NPC470493
0.8417 Intermediate Similarity NPC476959
0.8413 Intermediate Similarity NPC471407
0.8413 Intermediate Similarity NPC231529
0.8413 Intermediate Similarity NPC470880
0.8413 Intermediate Similarity NPC221414
0.8403 Intermediate Similarity NPC67259
0.8403 Intermediate Similarity NPC147912
0.8403 Intermediate Similarity NPC238667
0.8387 Intermediate Similarity NPC318135
0.8374 Intermediate Similarity NPC470419
0.8361 Intermediate Similarity NPC474585
0.8361 Intermediate Similarity NPC79579
0.8347 Intermediate Similarity NPC470420
0.8333 Intermediate Similarity NPC148458
0.8333 Intermediate Similarity NPC473888
0.8321 Intermediate Similarity NPC75616
0.8319 Intermediate Similarity NPC25909
0.8308 Intermediate Similarity NPC62172
0.8308 Intermediate Similarity NPC289700
0.8308 Intermediate Similarity NPC245017
0.8306 Intermediate Similarity NPC55602
0.8305 Intermediate Similarity NPC474315
0.8293 Intermediate Similarity NPC470418
0.8293 Intermediate Similarity NPC310511
0.8281 Intermediate Similarity NPC155529
0.8279 Intermediate Similarity NPC42673
0.8279 Intermediate Similarity NPC305260
0.8279 Intermediate Similarity NPC270850
0.8264 Intermediate Similarity NPC474518
0.8254 Intermediate Similarity NPC469757
0.8254 Intermediate Similarity NPC471357
0.8254 Intermediate Similarity NPC298841
0.8254 Intermediate Similarity NPC146456
0.8254 Intermediate Similarity NPC470882
0.8254 Intermediate Similarity NPC473265
0.8254 Intermediate Similarity NPC305496
0.8254 Intermediate Similarity NPC117702
0.825 Intermediate Similarity NPC243354
0.824 Intermediate Similarity NPC469790
0.8235 Intermediate Similarity NPC476964
0.8235 Intermediate Similarity NPC100267
0.8235 Intermediate Similarity NPC475524
0.8235 Intermediate Similarity NPC277769
0.8231 Intermediate Similarity NPC158350
0.822 Intermediate Similarity NPC197428
0.8211 Intermediate Similarity NPC184555
0.8211 Intermediate Similarity NPC251226
0.8211 Intermediate Similarity NPC268530
0.8211 Intermediate Similarity NPC154491
0.8205 Intermediate Similarity NPC473483
0.8205 Intermediate Similarity NPC177064
0.8197 Intermediate Similarity NPC186525
0.8197 Intermediate Similarity NPC257457
0.8197 Intermediate Similarity NPC311554
0.819 Intermediate Similarity NPC60681
0.8182 Intermediate Similarity NPC176840
0.8182 Intermediate Similarity NPC469794
0.8182 Intermediate Similarity NPC72772
0.8175 Intermediate Similarity NPC47113
0.8175 Intermediate Similarity NPC174367
0.8167 Intermediate Similarity NPC157441
0.816 Intermediate Similarity NPC473979
0.816 Intermediate Similarity NPC27363
0.8154 Intermediate Similarity NPC478072
0.8154 Intermediate Similarity NPC296617
0.8145 Intermediate Similarity NPC204731
0.8145 Intermediate Similarity NPC4021
0.8145 Intermediate Similarity NPC159456
0.8136 Intermediate Similarity NPC475941
0.8136 Intermediate Similarity NPC474901
0.813 Intermediate Similarity NPC472667
0.8125 Intermediate Similarity NPC180079
0.8125 Intermediate Similarity NPC91
0.8125 Intermediate Similarity NPC197707
0.8125 Intermediate Similarity NPC471358
0.8125 Intermediate Similarity NPC469754
0.8125 Intermediate Similarity NPC471361
0.8125 Intermediate Similarity NPC70542
0.8125 Intermediate Similarity NPC469752
0.8125 Intermediate Similarity NPC471359
0.8125 Intermediate Similarity NPC89514
0.8125 Intermediate Similarity NPC9499
0.8125 Intermediate Similarity NPC10823
0.8125 Intermediate Similarity NPC6108
0.8125 Intermediate Similarity NPC471360
0.8125 Intermediate Similarity NPC469755
0.8125 Intermediate Similarity NPC86159
0.8125 Intermediate Similarity NPC219085
0.8125 Intermediate Similarity NPC471352
0.8125 Intermediate Similarity NPC251866
0.8125 Intermediate Similarity NPC17896
0.8125 Intermediate Similarity NPC469753
0.8125 Intermediate Similarity NPC469751
0.8125 Intermediate Similarity NPC284406
0.812 Intermediate Similarity NPC475570
0.812 Intermediate Similarity NPC91034
0.8115 Intermediate Similarity NPC469684
0.8115 Intermediate Similarity NPC218970
0.811 Intermediate Similarity NPC329784
0.811 Intermediate Similarity NPC240070
0.8103 Intermediate Similarity NPC202793
0.8099 Intermediate Similarity NPC284915
0.8099 Intermediate Similarity NPC471398
0.8099 Intermediate Similarity NPC474181
0.8095 Intermediate Similarity NPC470922
0.8095 Intermediate Similarity NPC470494
0.8095 Intermediate Similarity NPC473255
0.8092 Intermediate Similarity NPC171619
0.8087 Intermediate Similarity NPC185530
0.8087 Intermediate Similarity NPC22388
0.8083 Intermediate Similarity NPC71348
0.8083 Intermediate Similarity NPC12046
0.8083 Intermediate Similarity NPC475970
0.8083 Intermediate Similarity NPC269530
0.8083 Intermediate Similarity NPC4573
0.8083 Intermediate Similarity NPC191620
0.8083 Intermediate Similarity NPC194951
0.8083 Intermediate Similarity NPC90952
0.808 Intermediate Similarity NPC28532
0.8077 Intermediate Similarity NPC225385
0.8077 Intermediate Similarity NPC104585
0.8077 Intermediate Similarity NPC469749
0.8077 Intermediate Similarity NPC157817
0.8077 Intermediate Similarity NPC247190
0.8077 Intermediate Similarity NPC298783
0.8077 Intermediate Similarity NPC142756
0.8077 Intermediate Similarity NPC116075

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC241456 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
0.8571 High Similarity NPD7115 Discovery
0.8125 Intermediate Similarity NPD7319 Approved
0.8095 Intermediate Similarity NPD7492 Approved
0.8083 Intermediate Similarity NPD6882 Approved
0.8065 Intermediate Similarity NPD6054 Approved
0.8047 Intermediate Similarity NPD7736 Approved
0.8034 Intermediate Similarity NPD6008 Approved
0.8031 Intermediate Similarity NPD6616 Approved
0.8031 Intermediate Similarity NPD7507 Approved
0.7969 Intermediate Similarity NPD7078 Approved
0.7937 Intermediate Similarity NPD6370 Approved
0.7899 Intermediate Similarity NPD6881 Approved
0.7899 Intermediate Similarity NPD6899 Approved
0.7857 Intermediate Similarity NPD7503 Approved
0.7857 Intermediate Similarity NPD6016 Approved
0.7857 Intermediate Similarity NPD6015 Approved
0.7851 Intermediate Similarity NPD6649 Approved
0.7851 Intermediate Similarity NPD6650 Approved
0.7823 Intermediate Similarity NPD6009 Approved
0.7815 Intermediate Similarity NPD5697 Approved
0.7795 Intermediate Similarity NPD5988 Approved
0.7778 Intermediate Similarity NPD6059 Approved
0.7778 Intermediate Similarity NPD6319 Approved
0.7769 Intermediate Similarity NPD7290 Approved
0.7769 Intermediate Similarity NPD6883 Approved
0.7769 Intermediate Similarity NPD7102 Approved
0.7731 Intermediate Similarity NPD6675 Approved
0.7731 Intermediate Similarity NPD7128 Approved
0.7731 Intermediate Similarity NPD6402 Approved
0.7731 Intermediate Similarity NPD5739 Approved
0.7705 Intermediate Similarity NPD8130 Phase 1
0.7705 Intermediate Similarity NPD6847 Approved
0.7705 Intermediate Similarity NPD6617 Approved
0.7705 Intermediate Similarity NPD6869 Approved
0.7692 Intermediate Similarity NPD8293 Discontinued
0.7686 Intermediate Similarity NPD6014 Approved
0.7686 Intermediate Similarity NPD6373 Approved
0.7686 Intermediate Similarity NPD6012 Approved
0.7686 Intermediate Similarity NPD6013 Approved
0.7686 Intermediate Similarity NPD6372 Approved
0.7672 Intermediate Similarity NPD7638 Approved
0.7642 Intermediate Similarity NPD8297 Approved
0.7607 Intermediate Similarity NPD7639 Approved
0.7607 Intermediate Similarity NPD7640 Approved
0.7603 Intermediate Similarity NPD7320 Approved
0.7603 Intermediate Similarity NPD6011 Approved
0.7581 Intermediate Similarity NPD4632 Approved
0.7578 Intermediate Similarity NPD8033 Approved
0.7521 Intermediate Similarity NPD5701 Approved
0.7521 Intermediate Similarity NPD6412 Phase 2
0.75 Intermediate Similarity NPD8294 Approved
0.75 Intermediate Similarity NPD6053 Discontinued
0.75 Intermediate Similarity NPD8377 Approved
0.748 Intermediate Similarity NPD4634 Approved
0.748 Intermediate Similarity NPD7327 Approved
0.748 Intermediate Similarity NPD7328 Approved
0.7479 Intermediate Similarity NPD5211 Phase 2
0.7462 Intermediate Similarity NPD8328 Phase 3
0.7462 Intermediate Similarity NPD7604 Phase 2
0.7458 Intermediate Similarity NPD5285 Approved
0.7458 Intermediate Similarity NPD5286 Approved
0.7458 Intermediate Similarity NPD4696 Approved
0.7442 Intermediate Similarity NPD8380 Approved
0.7442 Intermediate Similarity NPD8335 Approved
0.7442 Intermediate Similarity NPD8379 Approved
0.7442 Intermediate Similarity NPD8296 Approved
0.7442 Intermediate Similarity NPD8513 Phase 3
0.7442 Intermediate Similarity NPD8378 Approved
0.7422 Intermediate Similarity NPD7516 Approved
0.7355 Intermediate Similarity NPD5141 Approved
0.7333 Intermediate Similarity NPD5226 Approved
0.7333 Intermediate Similarity NPD5225 Approved
0.7333 Intermediate Similarity NPD5224 Approved
0.7333 Intermediate Similarity NPD4633 Approved
0.7317 Intermediate Similarity NPD6686 Approved
0.7308 Intermediate Similarity NPD8515 Approved
0.7308 Intermediate Similarity NPD5983 Phase 2
0.7308 Intermediate Similarity NPD8516 Approved
0.7308 Intermediate Similarity NPD8517 Approved
0.7304 Intermediate Similarity NPD6079 Approved
0.7288 Intermediate Similarity NPD6083 Phase 2
0.7288 Intermediate Similarity NPD4755 Approved
0.7288 Intermediate Similarity NPD6084 Phase 2
0.7287 Intermediate Similarity NPD7101 Approved
0.7287 Intermediate Similarity NPD7100 Approved
0.728 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5175 Approved
0.7273 Intermediate Similarity NPD5174 Approved
0.7265 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD5223 Approved
0.7241 Intermediate Similarity NPD6399 Phase 3
0.7239 Intermediate Similarity NPD6033 Approved
0.7227 Intermediate Similarity NPD5696 Approved
0.7218 Intermediate Similarity NPD6336 Discontinued
0.7209 Intermediate Similarity NPD6335 Approved
0.72 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD6274 Approved
0.7179 Intermediate Similarity NPD7748 Approved
0.7177 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD4700 Approved
0.7165 Intermediate Similarity NPD8133 Approved
0.7143 Intermediate Similarity NPD7902 Approved
0.7132 Intermediate Similarity NPD6317 Approved
0.7132 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5328 Approved
0.712 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD5695 Phase 3
0.7105 Intermediate Similarity NPD3573 Approved
0.7083 Intermediate Similarity NPD4225 Approved
0.7077 Intermediate Similarity NPD6314 Approved
0.7077 Intermediate Similarity NPD6313 Approved
0.7069 Intermediate Similarity NPD5785 Approved
0.7063 Intermediate Similarity NPD6371 Approved
0.7059 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5222 Approved
0.7059 Intermediate Similarity NPD5221 Approved
0.7049 Intermediate Similarity NPD7632 Discontinued
0.7045 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD4730 Approved
0.704 Intermediate Similarity NPD4729 Approved
0.7018 Intermediate Similarity NPD7521 Approved
0.7018 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7334 Approved
0.7018 Intermediate Similarity NPD7146 Approved
0.7018 Intermediate Similarity NPD6409 Approved
0.7018 Intermediate Similarity NPD6684 Approved
0.7018 Intermediate Similarity NPD5330 Approved
0.7009 Intermediate Similarity NPD5693 Phase 1
0.7009 Intermediate Similarity NPD7515 Phase 2
0.7 Intermediate Similarity NPD5173 Approved
0.6984 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5210 Approved
0.6975 Remote Similarity NPD4629 Approved
0.696 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6949 Remote Similarity NPD4202 Approved
0.6929 Remote Similarity NPD5248 Approved
0.6929 Remote Similarity NPD5247 Approved
0.6929 Remote Similarity NPD5249 Phase 3
0.6929 Remote Similarity NPD5250 Approved
0.6929 Remote Similarity NPD5251 Approved
0.6923 Remote Similarity NPD6868 Approved
0.6917 Remote Similarity NPD4697 Phase 3
0.6917 Remote Similarity NPD6909 Approved
0.6917 Remote Similarity NPD6908 Approved
0.6905 Remote Similarity NPD5128 Approved
0.6897 Remote Similarity NPD6903 Approved
0.6891 Remote Similarity NPD6001 Approved
0.6891 Remote Similarity NPD7900 Approved
0.6891 Remote Similarity NPD7901 Clinical (unspecified phase)
0.688 Remote Similarity NPD4768 Approved
0.688 Remote Similarity NPD4767 Approved
0.6875 Remote Similarity NPD5217 Approved
0.6875 Remote Similarity NPD5216 Approved
0.6875 Remote Similarity NPD5215 Approved
0.687 Remote Similarity NPD3618 Phase 1
0.6864 Remote Similarity NPD5281 Approved
0.6864 Remote Similarity NPD6411 Approved
0.6864 Remote Similarity NPD5284 Approved
0.6855 Remote Similarity NPD4754 Approved
0.6838 Remote Similarity NPD6673 Approved
0.6838 Remote Similarity NPD6904 Approved
0.6838 Remote Similarity NPD6080 Approved
0.6838 Remote Similarity NPD4753 Phase 2
0.6835 Remote Similarity NPD7260 Phase 2
0.6807 Remote Similarity NPD5778 Approved
0.6807 Remote Similarity NPD5779 Approved
0.6797 Remote Similarity NPD5135 Approved
0.6797 Remote Similarity NPD5169 Approved
0.6797 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6788 Remote Similarity NPD8074 Phase 3
0.6783 Remote Similarity NPD1694 Approved
0.6763 Remote Similarity NPD5956 Approved
0.6752 Remote Similarity NPD6672 Approved
0.6752 Remote Similarity NPD5737 Approved
0.6744 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6744 Remote Similarity NPD5127 Approved
0.6723 Remote Similarity NPD8034 Phase 2
0.6723 Remote Similarity NPD7637 Suspended
0.6723 Remote Similarity NPD8035 Phase 2
0.6696 Remote Similarity NPD3665 Phase 1
0.6696 Remote Similarity NPD3133 Approved
0.6696 Remote Similarity NPD4786 Approved
0.6696 Remote Similarity NPD3666 Approved
0.6695 Remote Similarity NPD6051 Approved
0.6695 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6695 Remote Similarity NPD6101 Approved
0.6694 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6693 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6691 Remote Similarity NPD6067 Discontinued
0.6667 Remote Similarity NPD6334 Approved
0.6667 Remote Similarity NPD7236 Approved
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD6333 Approved
0.6639 Remote Similarity NPD5207 Approved
0.6638 Remote Similarity NPD5363 Approved
0.6638 Remote Similarity NPD5329 Approved
0.6626 Remote Similarity NPD7799 Discontinued
0.661 Remote Similarity NPD5208 Approved

Structure

External Identifiers

PubChem CID   46888758
ChEMBL   CHEMBL1094863
ZINC  

Physicochemical Properties

Molecular Weight:  484.25
ALogP:  1.0081
MLogP:  3.77
XLogP:  1.804
# Rotatable Bonds:  7
Polar Surface Area:  105.59
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  35

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs