Natural Product: NPC96377

Natural Product ID:  NPC96377
Common Name:   Paraminabeolide C
IUPAC Name:   [(8R,9S,10R,13R,14S,17R)-17-[(1S,2S)-1-[(2R,3R,4R)-3,4-dimethyl-5-oxooxolan-2-yl]-1-hydroxypropan-2-yl]-10-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-13-yl]methyl acetate
Synonyms:   Paraminabeolide C
Molecular Formula:   C30H42O6
Standard InCHIKey:  CFLDASSGYNALJR-DYJDMTRPSA-N
Standard InCHI:  InChI=1S/C30H42O6/c1-16-17(2)28(34)36-27(16)26(33)18(3)23-8-9-25-22-7-6-20-14-21(32)10-12-29(20,5)24(22)11-13-30(23,25)15-35-19(4)31/h10,12,14,16-18,22-27,33H,6-9,11,13,15H2,1-5H3/t16-,17-,18+,22-,23-,24+,25+,26+,27-,29+,30+/m1/s1
Canonical SMILES:  CC(=O)OC[C@@]12CC[C@H]3[C@H]([C@@H]2CC[C@@H]1[C@@H]([C@@H]([C@@H]1OC(=O)[C@@H]([C@H]1C)C)O)C)CCC1=CC(=O)C=C[C@]31C
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
NPO27202 Paraminabea acronocephala Species Alcyoniidae Eukaryota the western coast of Pingtung county, Taiwan, at a depth of 10 m 2009-MAY PMID[21425785]
NPO27202 Paraminabea acronocephala Species Alcyoniidae Eukaryota PMID[21425785]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition = 37.9 % 21425785

  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 NPC96377 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
0.9897 High Similarity NPC255309
0.9238 High Similarity NPC471398
0.9109 High Similarity NPC164835
0.9109 High Similarity NPC228669
0.8922 High Similarity NPC471293
0.8879 High Similarity NPC474181
0.8857 High Similarity NPC5284
0.8824 High Similarity NPC140723
0.8788 High Similarity NPC58052
0.8788 High Similarity NPC111684
0.875 High Similarity NPC59530
0.8716 High Similarity NPC284068
0.8713 High Similarity NPC167974
0.8679 High Similarity NPC239097
0.8667 High Similarity NPC19412
0.8654 High Similarity NPC102352
0.8641 High Similarity NPC264048
0.8624 High Similarity NPC266728
0.8624 High Similarity NPC49492
0.8614 High Similarity NPC271387
0.8614 High Similarity NPC153792
0.8614 High Similarity NPC114274
0.8598 High Similarity NPC231589
0.8598 High Similarity NPC118860
0.8598 High Similarity NPC214797
0.8585 High Similarity NPC241927
0.8585 High Similarity NPC258543
0.8571 High Similarity NPC3316
0.8571 High Similarity NPC144854
0.8544 High Similarity NPC473163
0.8529 High Similarity NPC218383
0.8519 High Similarity NPC236217
0.8519 High Similarity NPC234042
0.8519 High Similarity NPC152117
0.8519 High Similarity NPC170487
0.8515 High Similarity NPC108078
0.8509 High Similarity NPC8369
0.8505 High Similarity NPC197428
0.8505 High Similarity NPC37116
0.8491 Intermediate Similarity NPC154608
0.8491 Intermediate Similarity NPC192813
0.8491 Intermediate Similarity NPC277017
0.8476 Intermediate Similarity NPC470309
0.8447 Intermediate Similarity NPC476240
0.8447 Intermediate Similarity NPC476223
0.8447 Intermediate Similarity NPC224720
0.844 Intermediate Similarity NPC52634
0.844 Intermediate Similarity NPC250109
0.844 Intermediate Similarity NPC962
0.8411 Intermediate Similarity NPC304495
0.8411 Intermediate Similarity NPC153239
0.8384 Intermediate Similarity NPC218301
0.8381 Intermediate Similarity NPC235889
0.8381 Intermediate Similarity NPC121566
0.8381 Intermediate Similarity NPC100955
0.8365 Intermediate Similarity NPC473928
0.8364 Intermediate Similarity NPC326542
0.8351 Intermediate Similarity NPC167877
0.835 Intermediate Similarity NPC476274
0.8349 Intermediate Similarity NPC71348
0.8349 Intermediate Similarity NPC207251
0.8333 Intermediate Similarity NPC292133
0.8333 Intermediate Similarity NPC473627
0.8333 Intermediate Similarity NPC475894
0.8319 Intermediate Similarity NPC109973
0.8319 Intermediate Similarity NPC476961
0.8319 Intermediate Similarity NPC474585
0.8318 Intermediate Similarity NPC469844
0.8318 Intermediate Similarity NPC258323
0.8317 Intermediate Similarity NPC469599
0.8304 Intermediate Similarity NPC475913
0.8302 Intermediate Similarity NPC63023
0.8302 Intermediate Similarity NPC181265
0.8302 Intermediate Similarity NPC95243
0.8302 Intermediate Similarity NPC196528
0.83 Intermediate Similarity NPC470224
0.8291 Intermediate Similarity NPC473888
0.8288 Intermediate Similarity NPC270958
0.8288 Intermediate Similarity NPC190286
0.8286 Intermediate Similarity NPC277074
0.8286 Intermediate Similarity NPC95585
0.8286 Intermediate Similarity NPC282233
0.8286 Intermediate Similarity NPC209298
0.8283 Intermediate Similarity NPC289213
0.8273 Intermediate Similarity NPC255017
0.8273 Intermediate Similarity NPC471173
0.8273 Intermediate Similarity NPC471627
0.8269 Intermediate Similarity NPC472924
0.8269 Intermediate Similarity NPC252614
0.8265 Intermediate Similarity NPC250687
0.8265 Intermediate Similarity NPC48824
0.8265 Intermediate Similarity NPC254572
0.8265 Intermediate Similarity NPC229407
0.8261 Intermediate Similarity NPC11895
0.8261 Intermediate Similarity NPC469789
0.8241 Intermediate Similarity NPC310546
0.8241 Intermediate Similarity NPC41405
0.8241 Intermediate Similarity NPC246205
0.8235 Intermediate Similarity NPC42042
0.8235 Intermediate Similarity NPC29410
0.8235 Intermediate Similarity NPC200054
0.823 Intermediate Similarity NPC474179
0.823 Intermediate Similarity NPC473203
0.823 Intermediate Similarity NPC475834
0.823 Intermediate Similarity NPC475041
0.823 Intermediate Similarity NPC161065
0.8224 Intermediate Similarity NPC475294
0.8224 Intermediate Similarity NPC220974
0.8224 Intermediate Similarity NPC230541
0.8208 Intermediate Similarity NPC96268
0.8208 Intermediate Similarity NPC29705
0.8208 Intermediate Similarity NPC13385
0.8208 Intermediate Similarity NPC301787
0.82 Intermediate Similarity NPC19114
0.82 Intermediate Similarity NPC154101
0.82 Intermediate Similarity NPC471747
0.8198 Intermediate Similarity NPC243354
0.8198 Intermediate Similarity NPC473898
0.819 Intermediate Similarity NPC473255
0.819 Intermediate Similarity NPC136289
0.819 Intermediate Similarity NPC22388
0.8182 Intermediate Similarity NPC186688
0.8182 Intermediate Similarity NPC477943
0.8182 Intermediate Similarity NPC280782
0.8182 Intermediate Similarity NPC205534
0.8182 Intermediate Similarity NPC269267
0.8174 Intermediate Similarity NPC170538
0.8174 Intermediate Similarity NPC222688
0.8173 Intermediate Similarity NPC471041
0.8173 Intermediate Similarity NPC316964
0.8173 Intermediate Similarity NPC267921
0.8173 Intermediate Similarity NPC287833
0.8165 Intermediate Similarity NPC101450
0.8165 Intermediate Similarity NPC210005
0.8165 Intermediate Similarity NPC76084
0.8165 Intermediate Similarity NPC5103
0.8165 Intermediate Similarity NPC474567
0.8163 Intermediate Similarity NPC474174
0.8163 Intermediate Similarity NPC251808
0.8158 Intermediate Similarity NPC79579
0.8158 Intermediate Similarity NPC241192
0.8155 Intermediate Similarity NPC27105
0.8148 Intermediate Similarity NPC275539
0.8148 Intermediate Similarity NPC472825
0.8148 Intermediate Similarity NPC470269
0.8148 Intermediate Similarity NPC189075
0.8144 Intermediate Similarity NPC29447
0.8144 Intermediate Similarity NPC470223
0.8142 Intermediate Similarity NPC153440
0.8142 Intermediate Similarity NPC118638
0.8137 Intermediate Similarity NPC470016
0.8137 Intermediate Similarity NPC317586
0.8137 Intermediate Similarity NPC98639
0.8131 Intermediate Similarity NPC278628
0.8131 Intermediate Similarity NPC222833
0.8131 Intermediate Similarity NPC231530
0.8131 Intermediate Similarity NPC472655
0.8131 Intermediate Similarity NPC181357
0.8125 Intermediate Similarity NPC207217
0.8125 Intermediate Similarity NPC251236
0.8125 Intermediate Similarity NPC96312
0.8125 Intermediate Similarity NPC148458
0.8125 Intermediate Similarity NPC196931
0.8125 Intermediate Similarity NPC176840
0.8125 Intermediate Similarity NPC40632
0.8125 Intermediate Similarity NPC302471
0.8125 Intermediate Similarity NPC328374
0.8125 Intermediate Similarity NPC270929
0.812 Intermediate Similarity NPC174367
0.812 Intermediate Similarity NPC293112
0.812 Intermediate Similarity NPC47113
0.8119 Intermediate Similarity NPC474807
0.8119 Intermediate Similarity NPC206810
0.8119 Intermediate Similarity NPC474736
0.8113 Intermediate Similarity NPC474207
0.8113 Intermediate Similarity NPC471005
0.8113 Intermediate Similarity NPC36688
0.8113 Intermediate Similarity NPC122811
0.8113 Intermediate Similarity NPC474330
0.8113 Intermediate Similarity NPC474775
0.8113 Intermediate Similarity NPC159442
0.8108 Intermediate Similarity NPC469463
0.8108 Intermediate Similarity NPC469454
0.8108 Intermediate Similarity NPC202889
0.8108 Intermediate Similarity NPC194100
0.8108 Intermediate Similarity NPC469496
0.8108 Intermediate Similarity NPC194273
0.8108 Intermediate Similarity NPC178981
0.8108 Intermediate Similarity NPC320118
0.8108 Intermediate Similarity NPC49451
0.8108 Intermediate Similarity NPC317210
0.8103 Intermediate Similarity NPC120724
0.8103 Intermediate Similarity NPC473979
0.8095 Intermediate Similarity NPC81530
0.8095 Intermediate Similarity NPC101067
0.8095 Intermediate Similarity NPC476134
0.8095 Intermediate Similarity NPC474327
0.8091 Intermediate Similarity NPC201992
0.8091 Intermediate Similarity NPC188738
0.8091 Intermediate Similarity NPC471243

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96377 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
0.844 Intermediate Similarity NPD4632 Approved
0.82 Intermediate Similarity NPD6079 Approved
0.819 Intermediate Similarity NPD7492 Approved
0.8182 Intermediate Similarity NPD8297 Approved
0.8158 Intermediate Similarity NPD6319 Approved
0.8158 Intermediate Similarity NPD6054 Approved
0.8148 Intermediate Similarity NPD6899 Approved
0.8148 Intermediate Similarity NPD6881 Approved
0.8131 Intermediate Similarity NPD6008 Approved
0.812 Intermediate Similarity NPD6616 Approved
0.8119 Intermediate Similarity NPD6399 Phase 3
0.8091 Intermediate Similarity NPD6650 Approved
0.8091 Intermediate Similarity NPD6649 Approved
0.8056 Intermediate Similarity NPD5697 Approved
0.8056 Intermediate Similarity NPD6412 Phase 2
0.8053 Intermediate Similarity NPD6009 Approved
0.8051 Intermediate Similarity NPD7078 Approved
0.8017 Intermediate Similarity NPD6370 Approved
0.8 Intermediate Similarity NPD7102 Approved
0.8 Intermediate Similarity NPD7290 Approved
0.8 Intermediate Similarity NPD6883 Approved
0.8 Intermediate Similarity NPD5328 Approved
0.7983 Intermediate Similarity NPD7736 Approved
0.7982 Intermediate Similarity NPD6011 Approved
0.7982 Intermediate Similarity NPD7320 Approved
0.7981 Intermediate Similarity NPD6083 Phase 2
0.7981 Intermediate Similarity NPD6084 Phase 2
0.7963 Intermediate Similarity NPD6402 Approved
0.7963 Intermediate Similarity NPD7128 Approved
0.7963 Intermediate Similarity NPD5739 Approved
0.7963 Intermediate Similarity NPD6675 Approved
0.7949 Intermediate Similarity NPD7604 Phase 2
0.7931 Intermediate Similarity NPD6015 Approved
0.7931 Intermediate Similarity NPD6016 Approved
0.7931 Intermediate Similarity NPD5983 Phase 2
0.7928 Intermediate Similarity NPD8130 Phase 1
0.7928 Intermediate Similarity NPD6617 Approved
0.7928 Intermediate Similarity NPD6869 Approved
0.7928 Intermediate Similarity NPD6847 Approved
0.7909 Intermediate Similarity NPD6014 Approved
0.7909 Intermediate Similarity NPD6012 Approved
0.7909 Intermediate Similarity NPD6373 Approved
0.7909 Intermediate Similarity NPD6372 Approved
0.7909 Intermediate Similarity NPD6013 Approved
0.79 Intermediate Similarity NPD6903 Approved
0.79 Intermediate Similarity NPD6672 Approved
0.79 Intermediate Similarity NPD5737 Approved
0.7895 Intermediate Similarity NPD7115 Discovery
0.7885 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7885 Intermediate Similarity NPD5221 Approved
0.7885 Intermediate Similarity NPD5222 Approved
0.7879 Intermediate Similarity NPD7521 Approved
0.7879 Intermediate Similarity NPD7334 Approved
0.7879 Intermediate Similarity NPD6409 Approved
0.7879 Intermediate Similarity NPD7146 Approved
0.7879 Intermediate Similarity NPD5330 Approved
0.7879 Intermediate Similarity NPD6684 Approved
0.7863 Intermediate Similarity NPD5988 Approved
0.7857 Intermediate Similarity NPD6882 Approved
0.7845 Intermediate Similarity NPD6059 Approved
0.7815 Intermediate Similarity NPD6336 Discontinued
0.781 Intermediate Similarity NPD5173 Approved
0.7788 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD8293 Discontinued
0.7736 Intermediate Similarity NPD5696 Approved
0.7736 Intermediate Similarity NPD7638 Approved
0.7727 Intermediate Similarity NPD5701 Approved
0.7723 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD4697 Phase 3
0.77 Intermediate Similarity NPD3618 Phase 1
0.7679 Intermediate Similarity NPD4634 Approved
0.7677 Intermediate Similarity NPD3665 Phase 1
0.7677 Intermediate Similarity NPD3133 Approved
0.7677 Intermediate Similarity NPD3666 Approved
0.7677 Intermediate Similarity NPD4786 Approved
0.7664 Intermediate Similarity NPD7640 Approved
0.7664 Intermediate Similarity NPD7639 Approved
0.7664 Intermediate Similarity NPD5285 Approved
0.7664 Intermediate Similarity NPD5286 Approved
0.7664 Intermediate Similarity NPD4696 Approved
0.7658 Intermediate Similarity NPD6686 Approved
0.7652 Intermediate Similarity NPD6868 Approved
0.7627 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD4629 Approved
0.7619 Intermediate Similarity NPD5695 Phase 3
0.7619 Intermediate Similarity NPD5210 Approved
0.7611 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD5223 Approved
0.7573 Intermediate Similarity NPD5207 Approved
0.7524 Intermediate Similarity NPD7748 Approved
0.7523 Intermediate Similarity NPD5224 Approved
0.7523 Intermediate Similarity NPD5211 Phase 2
0.7523 Intermediate Similarity NPD5225 Approved
0.7523 Intermediate Similarity NPD5226 Approved
0.7523 Intermediate Similarity NPD4633 Approved
0.7521 Intermediate Similarity NPD7507 Approved
0.7521 Intermediate Similarity NPD6335 Approved
0.75 Intermediate Similarity NPD7515 Phase 2
0.75 Intermediate Similarity NPD5281 Approved
0.75 Intermediate Similarity NPD5284 Approved
0.7477 Intermediate Similarity NPD4755 Approved
0.7477 Intermediate Similarity NPD7902 Approved
0.7476 Intermediate Similarity NPD6080 Approved
0.7476 Intermediate Similarity NPD6673 Approved
0.7476 Intermediate Similarity NPD4753 Phase 2
0.7476 Intermediate Similarity NPD6904 Approved
0.7475 Intermediate Similarity NPD3667 Approved
0.7458 Intermediate Similarity NPD7101 Approved
0.7458 Intermediate Similarity NPD7100 Approved
0.7455 Intermediate Similarity NPD5175 Approved
0.7455 Intermediate Similarity NPD5174 Approved
0.7436 Intermediate Similarity NPD6317 Approved
0.7398 Intermediate Similarity NPD6033 Approved
0.7391 Intermediate Similarity NPD6053 Discontinued
0.7387 Intermediate Similarity NPD5141 Approved
0.7373 Intermediate Similarity NPD6314 Approved
0.7373 Intermediate Similarity NPD6313 Approved
0.7358 Intermediate Similarity NPD6001 Approved
0.7355 Intermediate Similarity NPD8328 Phase 3
0.7353 Intermediate Similarity NPD5279 Phase 3
0.735 Intermediate Similarity NPD6274 Approved
0.7339 Intermediate Similarity NPD4700 Approved
0.7339 Intermediate Similarity NPD7319 Approved
0.73 Intermediate Similarity NPD4223 Phase 3
0.73 Intermediate Similarity NPD4221 Approved
0.7282 Intermediate Similarity NPD3573 Approved
0.7264 Intermediate Similarity NPD4202 Approved
0.7255 Intermediate Similarity NPD5329 Approved
0.7248 Intermediate Similarity NPD4225 Approved
0.7213 Intermediate Similarity NPD6067 Discontinued
0.7212 Intermediate Similarity NPD5208 Approved
0.7196 Intermediate Similarity NPD7900 Approved
0.7196 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD5168 Approved
0.7193 Intermediate Similarity NPD4729 Approved
0.7193 Intermediate Similarity NPD4730 Approved
0.7193 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5690 Phase 2
0.7184 Intermediate Similarity NPD6098 Approved
0.7184 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6411 Approved
0.717 Intermediate Similarity NPD8034 Phase 2
0.717 Intermediate Similarity NPD6050 Approved
0.717 Intermediate Similarity NPD5694 Approved
0.717 Intermediate Similarity NPD8035 Phase 2
0.717 Intermediate Similarity NPD5693 Phase 1
0.7157 Intermediate Similarity NPD4197 Approved
0.7143 Intermediate Similarity NPD5956 Approved
0.7143 Intermediate Similarity NPD4754 Approved
0.7143 Intermediate Similarity NPD6052 Approved
0.713 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD7260 Phase 2
0.7087 Intermediate Similarity NPD1694 Approved
0.7075 Intermediate Similarity NPD5692 Phase 3
0.7069 Intermediate Similarity NPD5250 Approved
0.7069 Intermediate Similarity NPD5249 Phase 3
0.7069 Intermediate Similarity NPD5251 Approved
0.7069 Intermediate Similarity NPD5169 Approved
0.7069 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD5247 Approved
0.7069 Intermediate Similarity NPD5248 Approved
0.7069 Intermediate Similarity NPD5135 Approved
0.7059 Intermediate Similarity NPD4788 Approved
0.7054 Intermediate Similarity NPD7632 Discontinued
0.7049 Intermediate Similarity NPD6908 Approved
0.7049 Intermediate Similarity NPD7503 Approved
0.7049 Intermediate Similarity NPD6909 Approved
0.7043 Intermediate Similarity NPD5128 Approved
0.7019 Intermediate Similarity NPD4138 Approved
0.7019 Intermediate Similarity NPD4693 Phase 3
0.7019 Intermediate Similarity NPD4689 Approved
0.7019 Intermediate Similarity NPD4690 Approved
0.7019 Intermediate Similarity NPD5205 Approved
0.7019 Intermediate Similarity NPD4688 Approved
0.7018 Intermediate Similarity NPD4767 Approved
0.7018 Intermediate Similarity NPD4768 Approved
0.7009 Intermediate Similarity NPD5215 Approved
0.7009 Intermediate Similarity NPD5127 Approved
0.7009 Intermediate Similarity NPD7637 Suspended
0.7009 Intermediate Similarity NPD5217 Approved
0.7009 Intermediate Similarity NPD5216 Approved
0.7 Intermediate Similarity NPD4195 Approved
0.699 Remote Similarity NPD3668 Phase 3
0.6981 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6981 Remote Similarity NPD6101 Approved
0.6961 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6961 Remote Similarity NPD6435 Approved
0.6957 Remote Similarity NPD6614 Approved
0.6944 Remote Similarity NPD5778 Approved
0.6944 Remote Similarity NPD5779 Approved
0.6942 Remote Similarity NPD7328 Approved
0.6942 Remote Similarity NPD7327 Approved
0.6931 Remote Similarity NPD4695 Discontinued
0.6923 Remote Similarity NPD6371 Approved
0.6923 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6916 Remote Similarity NPD5785 Approved
0.69 Remote Similarity NPD5784 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   53355241
ChEMBL   CHEMBL1782224
ZINC  

Physicochemical Properties

Molecular Weight:  498.30
ALogP:  0.7432
MLogP:  4.1
XLogP:  5.656
# Rotatable Bonds:  12
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  36

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs