Natural Product: NPC231668

Natural Product ID:  NPC231668
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H30O7
Standard InCHIKey:  FNHNBWWIASUEQH-HVWQDESWSA-N
Standard InCHI:  InChI=1S/C27H30O7/c1-23(2)11-10-21(28)25(4)26(23,30)13-12-24(3)27(25,31)15-18-20(34-24)14-19(33-22(18)29)16-6-8-17(32-5)9-7-16/h6-11,14,30-31H,12-13,15H2,1-5H3/t24-,25+,26-,27-/m1/s1
Canonical SMILES:  COc1ccc(cc1)c1cc2O[C@]3(C)CC[C@@]4([C@]([C@]3(Cc2c(=O)o1)O)(C)C(=O)C=CC4(C)C)O
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
NPO31059 Penicillium Genus Aspergillaceae Eukaryota PMID[7649881]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 26 nM 10890154
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 25.8 nM 26159481

  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 NPC231668 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
0.9597 High Similarity NPC268602
0.9324 High Similarity NPC119252
0.9178 High Similarity NPC169942
0.8506 High Similarity NPC146014
0.8476 Intermediate Similarity NPC472620
0.8373 Intermediate Similarity NPC294149
0.8354 Intermediate Similarity NPC472619
0.8344 Intermediate Similarity NPC296558
0.8323 Intermediate Similarity NPC146388
0.8323 Intermediate Similarity NPC306799
0.8323 Intermediate Similarity NPC101043
0.8313 Intermediate Similarity NPC470339
0.8303 Intermediate Similarity NPC472803
0.8302 Intermediate Similarity NPC472050
0.8278 Intermediate Similarity NPC136649
0.8261 Intermediate Similarity NPC472055
0.8261 Intermediate Similarity NPC188649
0.8261 Intermediate Similarity NPC18986
0.8239 Intermediate Similarity NPC477530
0.8235 Intermediate Similarity NPC251372
0.8232 Intermediate Similarity NPC469394
0.8221 Intermediate Similarity NPC121995
0.821 Intermediate Similarity NPC288602
0.821 Intermediate Similarity NPC88841
0.8199 Intermediate Similarity NPC287559
0.8199 Intermediate Similarity NPC8389
0.8187 Intermediate Similarity NPC194499
0.8187 Intermediate Similarity NPC164427
0.8187 Intermediate Similarity NPC88007
0.8187 Intermediate Similarity NPC471968
0.8187 Intermediate Similarity NPC195954
0.8187 Intermediate Similarity NPC478223
0.8182 Intermediate Similarity NPC473094
0.8171 Intermediate Similarity NPC156432
0.8171 Intermediate Similarity NPC191930
0.8165 Intermediate Similarity NPC48671
0.8165 Intermediate Similarity NPC124842
0.816 Intermediate Similarity NPC473022
0.816 Intermediate Similarity NPC56358
0.8158 Intermediate Similarity NPC155552
0.8153 Intermediate Similarity NPC228842
0.8148 Intermediate Similarity NPC68848
0.8148 Intermediate Similarity NPC79571
0.8144 Intermediate Similarity NPC473113
0.8141 Intermediate Similarity NPC1580
0.8141 Intermediate Similarity NPC91730
0.8137 Intermediate Similarity NPC246466
0.8133 Intermediate Similarity NPC217378
0.8133 Intermediate Similarity NPC476637
0.8133 Intermediate Similarity NPC473095
0.8133 Intermediate Similarity NPC473096
0.8125 Intermediate Similarity NPC159692
0.8125 Intermediate Similarity NPC472807
0.8117 Intermediate Similarity NPC127857
0.8117 Intermediate Similarity NPC25491
0.8113 Intermediate Similarity NPC470340
0.8113 Intermediate Similarity NPC180944
0.8113 Intermediate Similarity NPC115249
0.811 Intermediate Similarity NPC120012
0.811 Intermediate Similarity NPC249181
0.811 Intermediate Similarity NPC477689
0.811 Intermediate Similarity NPC303460
0.811 Intermediate Similarity NPC306321
0.811 Intermediate Similarity NPC12461
0.811 Intermediate Similarity NPC277618
0.811 Intermediate Similarity NPC161151
0.811 Intermediate Similarity NPC308156
0.8098 Intermediate Similarity NPC283209
0.8098 Intermediate Similarity NPC476929
0.8098 Intermediate Similarity NPC285567
0.8098 Intermediate Similarity NPC57715
0.8098 Intermediate Similarity NPC316457
0.8098 Intermediate Similarity NPC234644
0.8098 Intermediate Similarity NPC477627
0.8098 Intermediate Similarity NPC478222
0.8098 Intermediate Similarity NPC259456
0.8095 Intermediate Similarity NPC476152
0.8095 Intermediate Similarity NPC469393
0.8095 Intermediate Similarity NPC124828
0.8095 Intermediate Similarity NPC195972
0.8089 Intermediate Similarity NPC197037
0.8086 Intermediate Similarity NPC197856
0.8086 Intermediate Similarity NPC68619
0.8084 Intermediate Similarity NPC101107
0.8077 Intermediate Similarity NPC81698
0.8077 Intermediate Similarity NPC250046
0.8077 Intermediate Similarity NPC286038
0.8077 Intermediate Similarity NPC60509
0.8075 Intermediate Similarity NPC470625
0.8075 Intermediate Similarity NPC7059
0.8072 Intermediate Similarity NPC478059
0.8072 Intermediate Similarity NPC470377
0.8072 Intermediate Similarity NPC472622
0.8072 Intermediate Similarity NPC478060
0.8072 Intermediate Similarity NPC471975
0.8072 Intermediate Similarity NPC283041
0.8072 Intermediate Similarity NPC470374
0.8065 Intermediate Similarity NPC71739
0.8063 Intermediate Similarity NPC192189
0.8063 Intermediate Similarity NPC305710
0.8063 Intermediate Similarity NPC62051
0.8063 Intermediate Similarity NPC472408
0.8063 Intermediate Similarity NPC477691
0.8063 Intermediate Similarity NPC137301
0.8061 Intermediate Similarity NPC472450
0.8061 Intermediate Similarity NPC275780
0.8061 Intermediate Similarity NPC270312
0.8061 Intermediate Similarity NPC239752
0.8061 Intermediate Similarity NPC303174
0.805 Intermediate Similarity NPC81474
0.805 Intermediate Similarity NPC473773
0.805 Intermediate Similarity NPC26033
0.805 Intermediate Similarity NPC228204
0.805 Intermediate Similarity NPC475579
0.805 Intermediate Similarity NPC221249
0.8049 Intermediate Similarity NPC78332
0.8049 Intermediate Similarity NPC261470
0.8049 Intermediate Similarity NPC478229
0.8049 Intermediate Similarity NPC472448
0.8049 Intermediate Similarity NPC206605
0.8049 Intermediate Similarity NPC229632
0.8049 Intermediate Similarity NPC329760
0.8049 Intermediate Similarity NPC83922
0.8039 Intermediate Similarity NPC172311
0.8038 Intermediate Similarity NPC103116
0.8038 Intermediate Similarity NPC472548
0.8038 Intermediate Similarity NPC327962
0.8037 Intermediate Similarity NPC476980
0.8037 Intermediate Similarity NPC185617
0.8037 Intermediate Similarity NPC297212
0.8037 Intermediate Similarity NPC188433
0.8037 Intermediate Similarity NPC476280
0.8037 Intermediate Similarity NPC28241
0.8036 Intermediate Similarity NPC148185
0.8025 Intermediate Similarity NPC66991
0.8025 Intermediate Similarity NPC78071
0.8025 Intermediate Similarity NPC474611
0.8025 Intermediate Similarity NPC477483
0.8025 Intermediate Similarity NPC161239
0.8025 Intermediate Similarity NPC472889
0.8025 Intermediate Similarity NPC77598
0.8025 Intermediate Similarity NPC325032
0.8025 Intermediate Similarity NPC198455
0.8025 Intermediate Similarity NPC476981
0.8025 Intermediate Similarity NPC165260
0.8025 Intermediate Similarity NPC263483
0.8025 Intermediate Similarity NPC7095
0.8025 Intermediate Similarity NPC112216
0.8024 Intermediate Similarity NPC475805
0.8024 Intermediate Similarity NPC102810
0.8024 Intermediate Similarity NPC288813
0.8013 Intermediate Similarity NPC217918
0.8013 Intermediate Similarity NPC476055
0.8013 Intermediate Similarity NPC98356
0.8013 Intermediate Similarity NPC212697
0.8013 Intermediate Similarity NPC258856
0.8012 Intermediate Similarity NPC68727
0.8012 Intermediate Similarity NPC255787
0.8012 Intermediate Similarity NPC470681
0.8012 Intermediate Similarity NPC469419
0.8012 Intermediate Similarity NPC471116
0.8012 Intermediate Similarity NPC272502
0.8012 Intermediate Similarity NPC317585
0.8012 Intermediate Similarity NPC291742
0.8012 Intermediate Similarity NPC165460
0.8012 Intermediate Similarity NPC472890
0.8012 Intermediate Similarity NPC166054
0.8012 Intermediate Similarity NPC55662
0.8012 Intermediate Similarity NPC20237
0.8012 Intermediate Similarity NPC476169
0.8012 Intermediate Similarity NPC472621
0.8012 Intermediate Similarity NPC200726
0.8012 Intermediate Similarity NPC472449
0.8012 Intermediate Similarity NPC37870
0.8012 Intermediate Similarity NPC39091
0.8 Intermediate Similarity NPC470338
0.8 Intermediate Similarity NPC256141
0.8 Intermediate Similarity NPC474993
0.8 Intermediate Similarity NPC470337
0.8 Intermediate Similarity NPC23298
0.8 Intermediate Similarity NPC470130
0.8 Intermediate Similarity NPC51824
0.8 Intermediate Similarity NPC189473
0.8 Intermediate Similarity NPC477690
0.8 Intermediate Similarity NPC220313
0.8 Intermediate Similarity NPC183824
0.8 Intermediate Similarity NPC175978
0.8 Intermediate Similarity NPC184284
0.8 Intermediate Similarity NPC37065
0.8 Intermediate Similarity NPC167903
0.8 Intermediate Similarity NPC207690
0.8 Intermediate Similarity NPC476931
0.8 Intermediate Similarity NPC327225
0.8 Intermediate Similarity NPC469395
0.8 Intermediate Similarity NPC76041
0.8 Intermediate Similarity NPC113608
0.8 Intermediate Similarity NPC268992
0.7988 Intermediate Similarity NPC471969
0.7988 Intermediate Similarity NPC478134
0.7988 Intermediate Similarity NPC472275

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC231668 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
0.7987 Intermediate Similarity NPD6599 Discontinued
0.7987 Intermediate Similarity NPD4628 Phase 3
0.7965 Intermediate Similarity NPD8434 Phase 2
0.7875 Intermediate Similarity NPD4380 Phase 2
0.784 Intermediate Similarity NPD7819 Suspended
0.784 Intermediate Similarity NPD2801 Approved
0.784 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD6232 Discontinued
0.7803 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD7473 Discontinued
0.7791 Intermediate Similarity NPD3817 Phase 2
0.7756 Intermediate Similarity NPD3750 Approved
0.7756 Intermediate Similarity NPD8166 Discontinued
0.7756 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD3751 Discontinued
0.7722 Intermediate Similarity NPD6799 Approved
0.7706 Intermediate Similarity NPD5844 Phase 1
0.7702 Intermediate Similarity NPD7458 Discontinued
0.7697 Intermediate Similarity NPD7075 Discontinued
0.7684 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD5402 Approved
0.7673 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD6801 Discontinued
0.7662 Intermediate Similarity NPD3748 Approved
0.7636 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD3787 Discontinued
0.7613 Intermediate Similarity NPD2935 Discontinued
0.7607 Intermediate Similarity NPD7411 Suspended
0.7605 Intermediate Similarity NPD5494 Approved
0.7595 Intermediate Similarity NPD6190 Approved
0.7593 Intermediate Similarity NPD3226 Approved
0.759 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD2346 Discontinued
0.7562 Intermediate Similarity NPD2534 Approved
0.7562 Intermediate Similarity NPD2532 Approved
0.7562 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD2533 Approved
0.7561 Intermediate Similarity NPD1934 Approved
0.756 Intermediate Similarity NPD8127 Discontinued
0.7548 Intermediate Similarity NPD2799 Discontinued
0.7548 Intermediate Similarity NPD1510 Phase 2
0.7532 Intermediate Similarity NPD7003 Approved
0.75 Intermediate Similarity NPD2796 Approved
0.75 Intermediate Similarity NPD2313 Discontinued
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6100 Approved
0.75 Intermediate Similarity NPD1511 Approved
0.75 Intermediate Similarity NPD6099 Approved
0.7485 Intermediate Similarity NPD3749 Approved
0.7469 Intermediate Similarity NPD5403 Approved
0.7458 Intermediate Similarity NPD8150 Discontinued
0.7455 Intermediate Similarity NPD37 Approved
0.7453 Intermediate Similarity NPD5401 Approved
0.7442 Intermediate Similarity NPD3818 Discontinued
0.744 Intermediate Similarity NPD6234 Discontinued
0.7439 Intermediate Similarity NPD7028 Phase 2
0.7436 Intermediate Similarity NPD7033 Discontinued
0.7434 Intermediate Similarity NPD7095 Approved
0.7429 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD6166 Phase 2
0.7427 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD4965 Approved
0.7425 Intermediate Similarity NPD4966 Approved
0.7425 Intermediate Similarity NPD4967 Phase 2
0.7425 Intermediate Similarity NPD3882 Suspended
0.7419 Intermediate Similarity NPD1607 Approved
0.741 Intermediate Similarity NPD1465 Phase 2
0.7407 Intermediate Similarity NPD1512 Approved
0.7403 Intermediate Similarity NPD1240 Approved
0.7399 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD7054 Approved
0.7386 Intermediate Similarity NPD3268 Approved
0.7362 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD2800 Approved
0.7356 Intermediate Similarity NPD7472 Approved
0.7356 Intermediate Similarity NPD7074 Phase 3
0.7353 Intermediate Similarity NPD6959 Discontinued
0.7346 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD7228 Approved
0.7338 Intermediate Similarity NPD6233 Phase 2
0.7321 Intermediate Similarity NPD7768 Phase 2
0.7315 Intermediate Similarity NPD3972 Approved
0.7315 Intermediate Similarity NPD1608 Approved
0.7314 Intermediate Similarity NPD6797 Phase 2
0.7314 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD6273 Approved
0.7296 Intermediate Similarity NPD1549 Phase 2
0.7288 Intermediate Similarity NPD8312 Approved
0.7288 Intermediate Similarity NPD8313 Approved
0.7285 Intermediate Similarity NPD2797 Approved
0.7273 Intermediate Similarity NPD7497 Discontinued
0.7273 Intermediate Similarity NPD7435 Discontinued
0.7273 Intermediate Similarity NPD3764 Approved
0.7273 Intermediate Similarity NPD7251 Discontinued
0.7273 Intermediate Similarity NPD6798 Discontinued
0.7262 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD7097 Phase 1
0.7256 Intermediate Similarity NPD920 Approved
0.7251 Intermediate Similarity NPD7199 Phase 2
0.7244 Intermediate Similarity NPD6355 Discontinued
0.7244 Intermediate Similarity NPD230 Phase 1
0.7237 Intermediate Similarity NPD2798 Approved
0.7233 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7808 Phase 3
0.7226 Intermediate Similarity NPD8032 Phase 2
0.7219 Intermediate Similarity NPD1283 Approved
0.7219 Intermediate Similarity NPD3225 Approved
0.7205 Intermediate Similarity NPD4110 Phase 3
0.7205 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD6776 Approved
0.7204 Intermediate Similarity NPD6781 Approved
0.7204 Intermediate Similarity NPD6782 Approved
0.7204 Intermediate Similarity NPD6778 Approved
0.7204 Intermediate Similarity NPD6777 Approved
0.7204 Intermediate Similarity NPD6780 Approved
0.7204 Intermediate Similarity NPD6779 Approved
0.7202 Intermediate Similarity NPD8455 Phase 2
0.7195 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD7240 Approved
0.7175 Intermediate Similarity NPD6559 Discontinued
0.7175 Intermediate Similarity NPD8368 Discontinued
0.7175 Intermediate Similarity NPD7685 Pre-registration
0.7171 Intermediate Similarity NPD3266 Approved
0.7171 Intermediate Similarity NPD3267 Approved
0.7168 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1243 Approved
0.7135 Intermediate Similarity NPD919 Approved
0.7134 Intermediate Similarity NPD447 Suspended
0.7134 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD5124 Phase 1
0.7134 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7236 Approved
0.7114 Intermediate Similarity NPD1778 Approved
0.7114 Intermediate Similarity NPD4626 Approved
0.7114 Intermediate Similarity NPD17 Approved
0.711 Intermediate Similarity NPD7229 Phase 3
0.7107 Intermediate Similarity NPD4308 Phase 3
0.7101 Intermediate Similarity NPD5760 Phase 2
0.7101 Intermediate Similarity NPD5761 Phase 2
0.7089 Intermediate Similarity NPD6651 Approved
0.7079 Intermediate Similarity NPD6765 Approved
0.7079 Intermediate Similarity NPD6764 Approved
0.707 Intermediate Similarity NPD4060 Phase 1
0.707 Intermediate Similarity NPD2979 Phase 3
0.7063 Intermediate Similarity NPD1551 Phase 2
0.7063 Intermediate Similarity NPD2438 Suspended
0.7056 Intermediate Similarity NPD8407 Phase 2
0.7055 Intermediate Similarity NPD2354 Approved
0.7052 Intermediate Similarity NPD1247 Approved
0.7051 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD7874 Approved
0.7047 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD1651 Approved
0.7047 Intermediate Similarity NPD5691 Approved
0.7039 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD1281 Approved
0.7019 Intermediate Similarity NPD2344 Approved
0.7012 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD5710 Approved
0.7011 Intermediate Similarity NPD5711 Approved
0.7 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7697 Approved
0.7 Intermediate Similarity NPD7698 Approved
0.7 Intermediate Similarity NPD7696 Phase 3
0.6995 Remote Similarity NPD8151 Discontinued
0.6995 Remote Similarity NPD8360 Approved
0.6995 Remote Similarity NPD8361 Approved
0.6995 Remote Similarity NPD8435 Approved
0.6993 Remote Similarity NPD8651 Approved
0.6982 Remote Similarity NPD6385 Approved
0.6982 Remote Similarity NPD6386 Approved
0.698 Remote Similarity NPD9545 Approved
0.6975 Remote Similarity NPD2424 Discontinued
0.6975 Remote Similarity NPD4534 Discontinued
0.6971 Remote Similarity NPD5242 Approved
0.6971 Remote Similarity NPD3926 Phase 2
0.697 Remote Similarity NPD7390 Discontinued
0.6964 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6963 Remote Similarity NPD7870 Phase 2
0.6963 Remote Similarity NPD7871 Phase 2
0.6962 Remote Similarity NPD4140 Approved
0.6962 Remote Similarity NPD943 Approved
0.6962 Remote Similarity NPD4307 Phase 2
0.6959 Remote Similarity NPD4288 Approved
0.6957 Remote Similarity NPD5405 Approved
0.6957 Remote Similarity NPD5408 Approved
0.6957 Remote Similarity NPD5404 Approved
0.6957 Remote Similarity NPD5406 Approved
0.6949 Remote Similarity NPD7799 Discontinued
0.6947 Remote Similarity NPD6823 Phase 2

Structure

External Identifiers

PubChem CID   10050190
ChEMBL   CHEMBL278342
ZINC  

Physicochemical Properties

Molecular Weight:  466.20
ALogP:  0.3297
MLogP:  3.66
XLogP:  2.56
# Rotatable Bonds:  9
Polar Surface Area:  102.29
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  34

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs