Natural Product: NPC97902

Natural Product ID:  NPC97902
Common Name:   Eudistomidin K
IUPAC Name:   1-(5-bromo-6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)ethanone
Synonyms:   Eudistomidin K
Molecular Formula:   C13H9BrN2O2
Standard InCHIKey:  IELBPLMYBDYWNS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H9BrN2O2/c1-6(17)12-13-7(4-5-15-12)10-8(16-13)2-3-9(18)11(10)14/h2-5,16,18H,1H3
Canonical SMILES:  CC(=O)c1nccc2c1[nH]c1c2c(Br)c(cc1)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
NPO2552 Shorea acuminata Species Dipterocarpaceae Eukaryota UNPD*
NPO4412 Vepris stolzii Species Rutaceae Eukaryota UNPD*
NPO7903 Ascochyta fabae Species Didymellaceae Eukaryota UNPD*
NPO8196 Leucanthemum aligulatum Species Asteraceae Eukaryota UNPD*
NPO3258 Parmelia glabra Species Parmeliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 > 10 ug/ml 21684745
NPT137 Cell Line L1210 Mus musculus IC50 > 10 ug/ml 21684745
NPT91 Cell Line KB Homo sapiens IC50 > 10 ug/ml 21684745

  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 NPC97902 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
0.8813 High Similarity NPC200553
0.8694 High Similarity NPC162002
0.8661 High Similarity NPC37152
0.8649 High Similarity NPC174489
0.8643 High Similarity NPC279189
0.8643 High Similarity NPC207686
0.8612 High Similarity NPC476124
0.8571 High Similarity NPC26641
0.8539 High Similarity NPC245348
0.85 High Similarity NPC60006
0.8436 Intermediate Similarity NPC476121
0.8387 Intermediate Similarity NPC27041
0.8161 Intermediate Similarity NPC122436
0.814 Intermediate Similarity NPC270918
0.8119 Intermediate Similarity NPC219087
0.8108 Intermediate Similarity NPC276657
0.8066 Intermediate Similarity NPC237414
0.8018 Intermediate Similarity NPC171787
0.8009 Intermediate Similarity NPC222018
0.8 Intermediate Similarity NPC178858
0.8 Intermediate Similarity NPC182222
0.7967 Intermediate Similarity NPC216369
0.7965 Intermediate Similarity NPC477549
0.7963 Intermediate Similarity NPC475070
0.7932 Intermediate Similarity NPC63971
0.7932 Intermediate Similarity NPC91868
0.7919 Intermediate Similarity NPC477610
0.7893 Intermediate Similarity NPC74619
0.787 Intermediate Similarity NPC260434
0.786 Intermediate Similarity NPC213308
0.786 Intermediate Similarity NPC45459
0.786 Intermediate Similarity NPC315491
0.7848 Intermediate Similarity NPC322064
0.7841 Intermediate Similarity NPC229893
0.7834 Intermediate Similarity NPC476098
0.7822 Intermediate Similarity NPC74360
0.78 Intermediate Similarity NPC77101
0.7788 Intermediate Similarity NPC211813
0.7783 Intermediate Similarity NPC5145
0.7778 Intermediate Similarity NPC235685
0.7751 Intermediate Similarity NPC314002
0.7745 Intermediate Similarity NPC101350
0.7743 Intermediate Similarity NPC255110
0.7743 Intermediate Similarity NPC292958
0.7731 Intermediate Similarity NPC476167
0.7717 Intermediate Similarity NPC472259
0.7703 Intermediate Similarity NPC204717
0.7703 Intermediate Similarity NPC309845
0.7702 Intermediate Similarity NPC15801
0.7699 Intermediate Similarity NPC477609
0.7696 Intermediate Similarity NPC176538
0.7692 Intermediate Similarity NPC266249
0.7692 Intermediate Similarity NPC191415
0.7685 Intermediate Similarity NPC192315
0.7656 Intermediate Similarity NPC220765
0.7647 Intermediate Similarity NPC183777
0.7642 Intermediate Similarity NPC470501
0.7639 Intermediate Similarity NPC156704
0.763 Intermediate Similarity NPC171171
0.7628 Intermediate Similarity NPC276517
0.7626 Intermediate Similarity NPC57398
0.7623 Intermediate Similarity NPC123839
0.7617 Intermediate Similarity NPC99666
0.7598 Intermediate Similarity NPC470502
0.7598 Intermediate Similarity NPC60621
0.7595 Intermediate Similarity NPC41679
0.7589 Intermediate Similarity NPC246518
0.7577 Intermediate Similarity NPC469727
0.7577 Intermediate Similarity NPC304926
0.7577 Intermediate Similarity NPC476041
0.7573 Intermediate Similarity NPC171393
0.7573 Intermediate Similarity NPC295452
0.7568 Intermediate Similarity NPC88008
0.7558 Intermediate Similarity NPC90229
0.7558 Intermediate Similarity NPC141454
0.7556 Intermediate Similarity NPC118940
0.7556 Intermediate Similarity NPC110182
0.7535 Intermediate Similarity NPC324149
0.7532 Intermediate Similarity NPC470503
0.7531 Intermediate Similarity NPC148889
0.7523 Intermediate Similarity NPC82053
0.749 Intermediate Similarity NPC258048
0.7479 Intermediate Similarity NPC477607
0.7479 Intermediate Similarity NPC477608
0.7477 Intermediate Similarity NPC77555
0.7467 Intermediate Similarity NPC264285
0.7464 Intermediate Similarity NPC184964
0.7449 Intermediate Similarity NPC53534
0.7432 Intermediate Similarity NPC165599
0.7419 Intermediate Similarity NPC63109
0.7406 Intermediate Similarity NPC102755
0.7401 Intermediate Similarity NPC128084
0.7399 Intermediate Similarity NPC132539
0.7383 Intermediate Similarity NPC62749
0.738 Intermediate Similarity NPC142901
0.7366 Intermediate Similarity NPC175602
0.7364 Intermediate Similarity NPC474916
0.7361 Intermediate Similarity NPC154339
0.7354 Intermediate Similarity NPC200836
0.7354 Intermediate Similarity NPC53144
0.7349 Intermediate Similarity NPC278434
0.7349 Intermediate Similarity NPC46580
0.7345 Intermediate Similarity NPC61038
0.7341 Intermediate Similarity NPC152620
0.7339 Intermediate Similarity NPC267343
0.7336 Intermediate Similarity NPC237740
0.7333 Intermediate Similarity NPC244741
0.733 Intermediate Similarity NPC81535
0.7328 Intermediate Similarity NPC323969
0.7325 Intermediate Similarity NPC207020
0.7322 Intermediate Similarity NPC245055
0.7322 Intermediate Similarity NPC33064
0.7321 Intermediate Similarity NPC470505
0.7321 Intermediate Similarity NPC470500
0.7319 Intermediate Similarity NPC214142
0.7309 Intermediate Similarity NPC473761
0.7304 Intermediate Similarity NPC469928
0.7304 Intermediate Similarity NPC74969
0.7301 Intermediate Similarity NPC82548
0.7288 Intermediate Similarity NPC118559
0.7288 Intermediate Similarity NPC304307
0.7288 Intermediate Similarity NPC157931
0.7288 Intermediate Similarity NPC6215
0.7288 Intermediate Similarity NPC124920
0.7288 Intermediate Similarity NPC34580
0.7288 Intermediate Similarity NPC261251
0.7288 Intermediate Similarity NPC478078
0.7284 Intermediate Similarity NPC193267
0.7284 Intermediate Similarity NPC269270
0.7284 Intermediate Similarity NPC213530
0.7284 Intermediate Similarity NPC473312
0.7281 Intermediate Similarity NPC82370
0.7281 Intermediate Similarity NPC9894
0.728 Intermediate Similarity NPC284888
0.7277 Intermediate Similarity NPC223427
0.7277 Intermediate Similarity NPC134848
0.7273 Intermediate Similarity NPC251090
0.7265 Intermediate Similarity NPC16352
0.7265 Intermediate Similarity NPC232727
0.7261 Intermediate Similarity NPC184225
0.726 Intermediate Similarity NPC307963
0.726 Intermediate Similarity NPC88315
0.726 Intermediate Similarity NPC326422
0.7258 Intermediate Similarity NPC471536
0.7257 Intermediate Similarity NPC156003
0.7257 Intermediate Similarity NPC100547
0.7257 Intermediate Similarity NPC321428
0.7257 Intermediate Similarity NPC53344
0.7253 Intermediate Similarity NPC14686
0.7246 Intermediate Similarity NPC319232
0.7246 Intermediate Similarity NPC24370
0.724 Intermediate Similarity NPC74153
0.7231 Intermediate Similarity NPC82472
0.7229 Intermediate Similarity NPC470799
0.7229 Intermediate Similarity NPC8022
0.7227 Intermediate Similarity NPC202812
0.7227 Intermediate Similarity NPC95240
0.7227 Intermediate Similarity NPC322135
0.7227 Intermediate Similarity NPC223409
0.722 Intermediate Similarity NPC249040
0.7217 Intermediate Similarity NPC207866
0.7217 Intermediate Similarity NPC89508
0.7211 Intermediate Similarity NPC475746
0.7205 Intermediate Similarity NPC294375
0.72 Intermediate Similarity NPC245816
0.72 Intermediate Similarity NPC476138
0.7197 Intermediate Similarity NPC14288
0.7197 Intermediate Similarity NPC477112
0.7195 Intermediate Similarity NPC179701
0.7193 Intermediate Similarity NPC80596
0.7191 Intermediate Similarity NPC220851
0.7183 Intermediate Similarity NPC88363
0.7182 Intermediate Similarity NPC473821
0.7181 Intermediate Similarity NPC193238
0.7175 Intermediate Similarity NPC477004
0.7167 Intermediate Similarity NPC54803
0.7167 Intermediate Similarity NPC475736
0.7167 Intermediate Similarity NPC321592
0.7163 Intermediate Similarity NPC48938
0.7162 Intermediate Similarity NPC85273
0.7162 Intermediate Similarity NPC262898
0.7156 Intermediate Similarity NPC296527
0.7156 Intermediate Similarity NPC32771
0.7149 Intermediate Similarity NPC181081
0.7149 Intermediate Similarity NPC473800
0.7149 Intermediate Similarity NPC326634
0.7149 Intermediate Similarity NPC295228
0.7143 Intermediate Similarity NPC476287
0.713 Intermediate Similarity NPC306376
0.713 Intermediate Similarity NPC131887
0.7124 Intermediate Similarity NPC472285
0.7124 Intermediate Similarity NPC317701
0.7124 Intermediate Similarity NPC312645
0.7123 Intermediate Similarity NPC76748
0.7123 Intermediate Similarity NPC83111
0.7111 Intermediate Similarity NPC471944
0.71 Intermediate Similarity NPC473218
0.71 Intermediate Similarity NPC470702
0.71 Intermediate Similarity NPC12344
0.7093 Intermediate Similarity NPC117980

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97902 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
0.7879 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.786 Intermediate Similarity NPD484 Approved
0.7657 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD4845 Discontinued
0.75 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.749 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD6242 Discontinued
0.7347 Intermediate Similarity NPD4558 Phase 2
0.7319 Intermediate Similarity NPD7603 Discontinued
0.7316 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD1038 Approved
0.7253 Intermediate Similarity NPD1996 Discontinued
0.7247 Intermediate Similarity NPD5482 Discontinued
0.7224 Intermediate Similarity NPD3959 Phase 2
0.7224 Intermediate Similarity NPD3962 Phase 2
0.7168 Intermediate Similarity NPD5901 Discontinued
0.7149 Intermediate Similarity NPD6376 Discontinued
0.7104 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD7948 Phase 1
0.7082 Intermediate Similarity NPD6803 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4429 Discontinued
0.7009 Intermediate Similarity NPD3394 Approved
0.7009 Intermediate Similarity NPD3389 Approved
0.7009 Intermediate Similarity NPD3393 Approved
0.7008 Intermediate Similarity NPD5050 Approved
0.7 Intermediate Similarity NPD2510 Approved
0.7 Intermediate Similarity NPD2509 Approved
0.6974 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6953 Remote Similarity NPD6531 Approved
0.6953 Remote Similarity NPD6530 Approved
0.6946 Remote Similarity NPD2803 Discontinued
0.6941 Remote Similarity NPD6344 Clinical (unspecified phase)
0.6936 Remote Similarity NPD5612 Discontinued
0.693 Remote Similarity NPD749 Clinical (unspecified phase)
0.6911 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6911 Remote Similarity NPD5450 Discontinued
0.6898 Remote Similarity NPD2951 Discontinued
0.6884 Remote Similarity NPD482 Approved
0.6875 Remote Similarity NPD802 Phase 2
0.6872 Remote Similarity NPD5022 Discontinued
0.687 Remote Similarity NPD4795 Phase 2
0.6864 Remote Similarity NPD7112 Discontinued
0.6842 Remote Similarity NPD1739 Approved
0.6842 Remote Similarity NPD1740 Approved
0.6816 Remote Similarity NPD3960 Clinical (unspecified phase)
0.6809 Remote Similarity NPD8091 Phase 3
0.6806 Remote Similarity NPD5065 Approved
0.6804 Remote Similarity NPD3178 Discontinued
0.6803 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6802 Remote Similarity NPD3006 Discontinued
0.6802 Remote Similarity NPD4948 Discontinued
0.6802 Remote Similarity NPD5891 Approved
0.6798 Remote Similarity NPD6999 Discontinued
0.6798 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6797 Remote Similarity NPD5426 Phase 3
0.679 Remote Similarity NPD6165 Phase 2
0.679 Remote Similarity NPD6164 Phase 2
0.678 Remote Similarity NPD3243 Approved
0.6773 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6773 Remote Similarity NPD2094 Phase 2
0.6773 Remote Similarity NPD2092 Phase 2
0.6773 Remote Similarity NPD2095 Phase 2
0.677 Remote Similarity NPD6458 Discontinued
0.6748 Remote Similarity NPD5151 Clinical (unspecified phase)
0.6748 Remote Similarity NPD3746 Discontinued
0.6742 Remote Similarity NPD2091 Phase 2
0.6742 Remote Similarity NPD2096 Phase 2
0.6736 Remote Similarity NPD3354 Phase 2
0.6729 Remote Similarity NPD425 Approved
0.6729 Remote Similarity NPD424 Approved
0.6711 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7665 Phase 2
0.6709 Remote Similarity NPD5658 Approved
0.6709 Remote Similarity NPD7666 Phase 3
0.6695 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5559 Phase 2
0.6693 Remote Similarity NPD6790 Phase 1
0.6682 Remote Similarity NPD750 Phase 2
0.6667 Remote Similarity NPD6173 Approved
0.6653 Remote Similarity NPD4561 Discontinued
0.6652 Remote Similarity NPD4118 Clinical (unspecified phase)
0.6652 Remote Similarity NPD460 Discontinued
0.6652 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6652 Remote Similarity NPD6987 Phase 1
0.6641 Remote Similarity NPD3986 Discontinued
0.6639 Remote Similarity NPD1322 Clinical (unspecified phase)
0.6638 Remote Similarity NPD2189 Approved
0.6638 Remote Similarity NPD2916 Discontinued
0.6638 Remote Similarity NPD2187 Approved
0.6637 Remote Similarity NPD2336 Approved
0.6628 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6625 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6624 Remote Similarity NPD7470 Discontinued
0.6624 Remote Similarity NPD5416 Discontinued
0.6623 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6613 Remote Similarity NPD4885 Approved
0.6609 Remote Similarity NPD4987 Clinical (unspecified phase)
0.6597 Remote Similarity NPD8093 Discontinued
0.6597 Remote Similarity NPD3330 Phase 1
0.6595 Remote Similarity NPD5017 Discontinued
0.6592 Remote Similarity NPD1096 Discontinued
0.6586 Remote Similarity NPD4850 Phase 1
0.6582 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6581 Remote Similarity NPD3947 Discontinued
0.658 Remote Similarity NPD3825 Phase 3
0.6573 Remote Similarity NPD8106 Phase 2
0.657 Remote Similarity NPD7203 Clinical (unspecified phase)
0.6557 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6553 Remote Similarity NPD7001 Phase 3
0.6553 Remote Similarity NPD2008 Discontinued
0.6552 Remote Similarity NPD8248 Clinical (unspecified phase)
0.655 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6542 Remote Similarity NPD4897 Phase 2
0.6542 Remote Similarity NPD5417 Clinical (unspecified phase)
0.654 Remote Similarity NPD1600 Suspended
0.6538 Remote Similarity NPD4886 Phase 2
0.6532 Remote Similarity NPD5479 Discontinued
0.6529 Remote Similarity NPD5632 Approved
0.6528 Remote Similarity NPD926 Approved
0.6528 Remote Similarity NPD925 Approved
0.6527 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6525 Remote Similarity NPD7222 Phase 2
0.6524 Remote Similarity NPD4511 Phase 1
0.6522 Remote Similarity NPD2307 Discontinued
0.652 Remote Similarity NPD4373 Phase 2
0.6518 Remote Similarity NPD3259 Approved
0.6515 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6514 Remote Similarity NPD1325 Approved
0.6514 Remote Similarity NPD1326 Approved
0.6512 Remote Similarity NPD3809 Discontinued
0.6507 Remote Similarity NPD9695 Approved
0.6504 Remote Similarity NPD7586 Clinical (unspecified phase)
0.65 Remote Similarity NPD3794 Approved
0.65 Remote Similarity NPD8094 Discontinued
0.65 Remote Similarity NPD9690 Approved
0.65 Remote Similarity NPD3795 Approved
0.6496 Remote Similarity NPD3931 Approved
0.6496 Remote Similarity NPD3928 Approved
0.649 Remote Similarity NPD8356 Approved
0.6489 Remote Similarity NPD2762 Phase 2
0.6485 Remote Similarity NPD949 Phase 1
0.6485 Remote Similarity NPD7927 Clinical (unspecified phase)
0.6485 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6485 Remote Similarity NPD5475 Discontinued
0.6483 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6479 Remote Similarity NPD7924 Phase 2
0.6479 Remote Similarity NPD7393 Clinical (unspecified phase)
0.6479 Remote Similarity NPD7925 Phase 2
0.6478 Remote Similarity NPD8289 Discontinued
0.6478 Remote Similarity NPD7619 Phase 3
0.6478 Remote Similarity NPD7618 Phase 3
0.6475 Remote Similarity NPD8349 Phase 1
0.6475 Remote Similarity NPD5827 Discontinued
0.6473 Remote Similarity NPD5293 Phase 2
0.6471 Remote Similarity NPD4520 Approved
0.6471 Remote Similarity NPD3914 Clinical (unspecified phase)
0.6468 Remote Similarity NPD2844 Phase 3
0.6466 Remote Similarity NPD8512 Phase 3
0.6466 Remote Similarity NPD4952 Phase 3
0.6465 Remote Similarity NPD9705 Discontinued
0.6465 Remote Similarity NPD112 Approved
0.646 Remote Similarity NPD4426 Clinical (unspecified phase)
0.6459 Remote Similarity NPD5488 Discontinued
0.6458 Remote Similarity NPD2411 Approved
0.6457 Remote Similarity NPD6595 Phase 3
0.6456 Remote Similarity NPD1392 Approved
0.6454 Remote Similarity NPD7415 Suspended
0.6454 Remote Similarity NPD7558 Phase 2
0.6454 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6452 Remote Similarity NPD8430 Approved
0.6448 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6446 Remote Similarity NPD2412 Clinical (unspecified phase)
0.6444 Remote Similarity NPD6178 Phase 3
0.6444 Remote Similarity NPD4051 Discontinued
0.6444 Remote Similarity NPD3607 Clinical (unspecified phase)
0.6441 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6441 Remote Similarity NPD31 Approved
0.6441 Remote Similarity NPD4034 Approved
0.6441 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6441 Remote Similarity NPD4122 Approved
0.6441 Remote Similarity NPD32 Approved
0.6441 Remote Similarity NPD4039 Approved
0.6441 Remote Similarity NPD4035 Approved
0.6441 Remote Similarity NPD4038 Approved
0.6441 Remote Similarity NPD4037 Approved
0.6441 Remote Similarity NPD4036 Approved
0.6441 Remote Similarity NPD4033 Approved
0.6439 Remote Similarity NPD6228 Discontinued
0.6439 Remote Similarity NPD5867 Clinical (unspecified phase)
0.6438 Remote Similarity NPD2177 Approved
0.6438 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6438 Remote Similarity NPD8396 Approved
0.6438 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6438 Remote Similarity NPD2175 Phase 3
0.6438 Remote Similarity NPD2176 Approved
0.6438 Remote Similarity NPD8395 Approved
0.6437 Remote Similarity NPD2311 Clinical (unspecified phase)
0.6434 Remote Similarity NPD3258 Approved
0.6434 Remote Similarity NPD6276 Discontinued

Structure

External Identifiers

PubChem CID   56683232
ChEMBL   CHEMBL1800683
ZINC  

Physicochemical Properties

Molecular Weight:  303.98
ALogP:  -0.2458
MLogP:  2.34
XLogP:  2.05
# Rotatable Bonds:  4
Polar Surface Area:  65.98
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

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Biological Activities  
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