Natural Product: NPC477208

Natural Product ID:  NPC477208
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H54O3
Standard InCHIKey:  ZQBCRXQIMPQFBF-RUIJFDDTSA-N
Standard InCHI:  InChI=1S/C37H54O3/c1-32(2)15-8-16-37(7)26(32)11-18-35(5)28-12-17-34(4)27(33(28,3)20-14-30(35)40-37)13-19-36(6)29(34)21-24-25(39)10-9-23(22-38)31(24)36/h9-10,22,26-30,39H,8,11-21H2,1-7H3/t26-,27+,28+,29-,30-,33+,34+,35-,36-,37-/m0/s1
Canonical SMILES:  O=Cc1ccc(c2c1[C@@]1(C)CC[C@H]3[C@@]([C@@H]1C2)(C)CC[C@@H]1[C@]3(C)CC[C@H]2[C@@]1(C)CC[C@@H]1[C@](O2)(C)CCCC1(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
NPO33502 Haliclona sp. Species Chalinidae Eukaryota Culasian Point, Leyte, Philippines (S 11°19.00', E 124°35.60') 1991-MAR PMID[22873824]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1078 Individual Protein Indoleamine 2,3-dioxygenase Homo sapiens IC50 = 53000 nM 22873824

  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 NPC477208 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
0.9433 High Similarity NPC477209
0.8667 High Similarity NPC279442
0.8667 High Similarity NPC477206
0.8621 High Similarity NPC248287
0.8621 High Similarity NPC234548
0.8621 High Similarity NPC477593
0.8571 High Similarity NPC3009
0.8531 High Similarity NPC477139
0.8425 Intermediate Similarity NPC477592
0.8403 Intermediate Similarity NPC78307
0.8392 Intermediate Similarity NPC471851
0.8378 Intermediate Similarity NPC172311
0.8369 Intermediate Similarity NPC78364
0.8369 Intermediate Similarity NPC84672
0.8369 Intermediate Similarity NPC69424
0.8369 Intermediate Similarity NPC176130
0.8357 Intermediate Similarity NPC137750
0.8345 Intermediate Similarity NPC202225
0.8345 Intermediate Similarity NPC477594
0.8344 Intermediate Similarity NPC66894
0.8344 Intermediate Similarity NPC8102
0.8322 Intermediate Similarity NPC477595
0.8322 Intermediate Similarity NPC108129
0.8288 Intermediate Similarity NPC477874
0.8288 Intermediate Similarity NPC173569
0.8288 Intermediate Similarity NPC477596
0.8252 Intermediate Similarity NPC303910
0.8252 Intermediate Similarity NPC276238
0.8239 Intermediate Similarity NPC72667
0.8235 Intermediate Similarity NPC325032
0.8235 Intermediate Similarity NPC477483
0.8231 Intermediate Similarity NPC249817
0.8224 Intermediate Similarity NPC478160
0.8219 Intermediate Similarity NPC11266
0.8212 Intermediate Similarity NPC477207
0.8201 Intermediate Similarity NPC253627
0.8176 Intermediate Similarity NPC216940
0.8176 Intermediate Similarity NPC22676
0.8176 Intermediate Similarity NPC198621
0.8176 Intermediate Similarity NPC49911
0.8176 Intermediate Similarity NPC475482
0.8176 Intermediate Similarity NPC475957
0.8169 Intermediate Similarity NPC254492
0.8151 Intermediate Similarity NPC475346
0.8151 Intermediate Similarity NPC475627
0.8151 Intermediate Similarity NPC475457
0.8151 Intermediate Similarity NPC18982
0.8146 Intermediate Similarity NPC308572
0.8143 Intermediate Similarity NPC11250
0.8141 Intermediate Similarity NPC477276
0.8138 Intermediate Similarity NPC476847
0.8138 Intermediate Similarity NPC18798
0.8129 Intermediate Similarity NPC327962
0.8125 Intermediate Similarity NPC171460
0.8101 Intermediate Similarity NPC472807
0.8092 Intermediate Similarity NPC478164
0.8092 Intermediate Similarity NPC100242
0.8079 Intermediate Similarity NPC477275
0.8077 Intermediate Similarity NPC470037
0.8056 Intermediate Similarity NPC96024
0.8056 Intermediate Similarity NPC229894
0.8054 Intermediate Similarity NPC277559
0.8054 Intermediate Similarity NPC36868
0.8042 Intermediate Similarity NPC269598
0.8028 Intermediate Similarity NPC199273
0.8027 Intermediate Similarity NPC49742
0.8026 Intermediate Similarity NPC85310
0.8026 Intermediate Similarity NPC477873
0.8026 Intermediate Similarity NPC469447
0.8026 Intermediate Similarity NPC184935
0.8013 Intermediate Similarity NPC473612
0.8013 Intermediate Similarity NPC27518
0.8013 Intermediate Similarity NPC470035
0.8013 Intermediate Similarity NPC476534
0.8013 Intermediate Similarity NPC472801
0.8013 Intermediate Similarity NPC304110
0.8 Intermediate Similarity NPC117899
0.8 Intermediate Similarity NPC5568
0.8 Intermediate Similarity NPC86257
0.7988 Intermediate Similarity NPC200726
0.7987 Intermediate Similarity NPC470038
0.7986 Intermediate Similarity NPC30491
0.7986 Intermediate Similarity NPC262936
0.7975 Intermediate Similarity NPC205392
0.7975 Intermediate Similarity NPC105942
0.7974 Intermediate Similarity NPC199936
0.7974 Intermediate Similarity NPC25491
0.7973 Intermediate Similarity NPC194970
0.7961 Intermediate Similarity NPC106519
0.7961 Intermediate Similarity NPC91019
0.7961 Intermediate Similarity NPC35212
0.7949 Intermediate Similarity NPC290695
0.7949 Intermediate Similarity NPC106524
0.7939 Intermediate Similarity NPC177362
0.7935 Intermediate Similarity NPC143685
0.7935 Intermediate Similarity NPC273798
0.7931 Intermediate Similarity NPC193203
0.7929 Intermediate Similarity NPC318552
0.7929 Intermediate Similarity NPC190501
0.7922 Intermediate Similarity NPC53520
0.7919 Intermediate Similarity NPC279463
0.7919 Intermediate Similarity NPC472804
0.7917 Intermediate Similarity NPC71610
0.7914 Intermediate Similarity NPC261896
0.7911 Intermediate Similarity NPC48671
0.7908 Intermediate Similarity NPC310621
0.7908 Intermediate Similarity NPC469520
0.7908 Intermediate Similarity NPC252133
0.7905 Intermediate Similarity NPC111845
0.7902 Intermediate Similarity NPC181334
0.7898 Intermediate Similarity NPC142654
0.7898 Intermediate Similarity NPC247219
0.7892 Intermediate Similarity NPC202428
0.7892 Intermediate Similarity NPC266545
0.7891 Intermediate Similarity NPC41847
0.7891 Intermediate Similarity NPC291001
0.7887 Intermediate Similarity NPC282577
0.7885 Intermediate Similarity NPC162751
0.7885 Intermediate Similarity NPC472135
0.7885 Intermediate Similarity NPC215593
0.7885 Intermediate Similarity NPC52161
0.7881 Intermediate Similarity NPC471974
0.7881 Intermediate Similarity NPC469680
0.7881 Intermediate Similarity NPC469681
0.7881 Intermediate Similarity NPC20210
0.7877 Intermediate Similarity NPC474546
0.7872 Intermediate Similarity NPC216216
0.7872 Intermediate Similarity NPC190971
0.7862 Intermediate Similarity NPC19432
0.7857 Intermediate Similarity NPC31296
0.7857 Intermediate Similarity NPC79933
0.7857 Intermediate Similarity NPC258366
0.7857 Intermediate Similarity NPC473974
0.7857 Intermediate Similarity NPC126002
0.7848 Intermediate Similarity NPC140133
0.7847 Intermediate Similarity NPC123506
0.7847 Intermediate Similarity NPC87985
0.7842 Intermediate Similarity NPC174087
0.784 Intermediate Similarity NPC326084
0.7838 Intermediate Similarity NPC165612
0.7834 Intermediate Similarity NPC132810
0.7834 Intermediate Similarity NPC142846
0.7832 Intermediate Similarity NPC471187
0.7832 Intermediate Similarity NPC198014
0.7829 Intermediate Similarity NPC76312
0.7821 Intermediate Similarity NPC472937
0.7821 Intermediate Similarity NPC472938
0.7821 Intermediate Similarity NPC472936
0.7821 Intermediate Similarity NPC472134
0.7817 Intermediate Similarity NPC154696
0.7817 Intermediate Similarity NPC295034
0.7815 Intermediate Similarity NPC119542
0.78 Intermediate Similarity NPC153088
0.78 Intermediate Similarity NPC103082
0.78 Intermediate Similarity NPC80035
0.7793 Intermediate Similarity NPC473220
0.7793 Intermediate Similarity NPC470753
0.7792 Intermediate Similarity NPC239136
0.7792 Intermediate Similarity NPC19631
0.7792 Intermediate Similarity NPC248068
0.7791 Intermediate Similarity NPC475449
0.7785 Intermediate Similarity NPC138472
0.7785 Intermediate Similarity NPC477221
0.7785 Intermediate Similarity NPC126516
0.7785 Intermediate Similarity NPC329913
0.7778 Intermediate Similarity NPC317580
0.7778 Intermediate Similarity NPC471853
0.777 Intermediate Similarity NPC93015
0.777 Intermediate Similarity NPC85342
0.777 Intermediate Similarity NPC164295
0.7764 Intermediate Similarity NPC266469
0.7763 Intermediate Similarity NPC139243
0.7763 Intermediate Similarity NPC13715
0.7763 Intermediate Similarity NPC116742
0.7762 Intermediate Similarity NPC121168
0.7762 Intermediate Similarity NPC176208
0.7755 Intermediate Similarity NPC131684
0.7748 Intermediate Similarity NPC193358
0.7748 Intermediate Similarity NPC471670
0.7746 Intermediate Similarity NPC32322
0.7746 Intermediate Similarity NPC259703
0.7742 Intermediate Similarity NPC313047
0.7742 Intermediate Similarity NPC295712
0.7742 Intermediate Similarity NPC474203
0.7742 Intermediate Similarity NPC296752
0.7742 Intermediate Similarity NPC451542
0.7733 Intermediate Similarity NPC472262
0.7733 Intermediate Similarity NPC287604
0.7733 Intermediate Similarity NPC161964
0.773 Intermediate Similarity NPC93071
0.773 Intermediate Similarity NPC472617
0.7727 Intermediate Similarity NPC2681
0.7727 Intermediate Similarity NPC272907
0.7724 Intermediate Similarity NPC470765
0.7724 Intermediate Similarity NPC137416
0.7722 Intermediate Similarity NPC46549
0.7722 Intermediate Similarity NPC264229
0.7716 Intermediate Similarity NPC469507
0.7716 Intermediate Similarity NPC213401
0.7712 Intermediate Similarity NPC470616

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477208 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
0.8014 Intermediate Similarity NPD6663 Approved
0.7986 Intermediate Similarity NPD5736 Approved
0.7929 Intermediate Similarity NPD3019 Approved
0.7843 Intermediate Similarity NPD8166 Discontinued
0.7843 Intermediate Similarity NPD7003 Approved
0.7821 Intermediate Similarity NPD6273 Approved
0.7801 Intermediate Similarity NPD2932 Approved
0.7673 Intermediate Similarity NPD7458 Discontinued
0.7535 Intermediate Similarity NPD3091 Approved
0.7468 Intermediate Similarity NPD7390 Discontinued
0.7421 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD7236 Approved
0.7379 Intermediate Similarity NPD3026 Approved
0.7379 Intermediate Similarity NPD3023 Approved
0.7361 Intermediate Similarity NPD3025 Approved
0.7361 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD3024 Approved
0.7355 Intermediate Similarity NPD5408 Approved
0.7355 Intermediate Similarity NPD5404 Approved
0.7355 Intermediate Similarity NPD5406 Approved
0.7355 Intermediate Similarity NPD5405 Approved
0.7342 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD3092 Approved
0.7329 Intermediate Similarity NPD1201 Approved
0.731 Intermediate Similarity NPD4059 Approved
0.729 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD1470 Approved
0.7222 Intermediate Similarity NPD7610 Discontinued
0.7219 Intermediate Similarity NPD8127 Discontinued
0.7192 Intermediate Similarity NPD3095 Discontinued
0.719 Intermediate Similarity NPD8032 Phase 2
0.7178 Intermediate Similarity NPD7239 Suspended
0.7169 Intermediate Similarity NPD5761 Phase 2
0.7169 Intermediate Similarity NPD5760 Phase 2
0.7134 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD3094 Phase 2
0.7126 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD3764 Approved
0.7118 Intermediate Similarity NPD6959 Discontinued
0.7078 Intermediate Similarity NPD7961 Discontinued
0.7067 Intermediate Similarity NPD1876 Approved
0.7066 Intermediate Similarity NPD7819 Suspended
0.7059 Intermediate Similarity NPD7008 Discontinued
0.7051 Intermediate Similarity NPD6353 Approved
0.7032 Intermediate Similarity NPD4140 Approved
0.7014 Intermediate Similarity NPD5951 Approved
0.7 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5327 Phase 3
0.6994 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4624 Approved
0.6962 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6962 Remote Similarity NPD2799 Discontinued
0.6961 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4628 Phase 3
0.6948 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6944 Remote Similarity NPD8150 Discontinued
0.6933 Remote Similarity NPD3972 Approved
0.6918 Remote Similarity NPD405 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6100 Approved
0.6918 Remote Similarity NPD6099 Approved
0.6918 Remote Similarity NPD2935 Discontinued
0.6913 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6889 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6885 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7768 Phase 2
0.6879 Remote Similarity NPD5735 Approved
0.6875 Remote Similarity NPD5844 Phase 1
0.6872 Remote Similarity NPD8313 Approved
0.6872 Remote Similarity NPD8312 Approved
0.6871 Remote Similarity NPD3300 Phase 2
0.6855 Remote Similarity NPD7742 Approved
0.6855 Remote Similarity NPD7743 Approved
0.6846 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1283 Approved
0.6824 Remote Similarity NPD9545 Approved
0.6815 Remote Similarity NPD3620 Phase 2
0.6815 Remote Similarity NPD3619 Clinical (unspecified phase)
0.68 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6797 Remote Similarity NPD1164 Approved
0.6788 Remote Similarity NPD2532 Approved
0.6788 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2534 Approved
0.6788 Remote Similarity NPD2533 Approved
0.6786 Remote Similarity NPD7028 Phase 2
0.6786 Remote Similarity NPD4380 Phase 2
0.6784 Remote Similarity NPD7057 Phase 3
0.6784 Remote Similarity NPD7058 Phase 2
0.677 Remote Similarity NPD2344 Approved
0.677 Remote Similarity NPD2346 Discontinued
0.677 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6765 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7473 Discontinued
0.6759 Remote Similarity NPD7635 Approved
0.6748 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6733 Remote Similarity NPD4626 Approved
0.6728 Remote Similarity NPD970 Clinical (unspecified phase)
0.6726 Remote Similarity NPD3226 Approved
0.6723 Remote Similarity NPD7177 Discontinued
0.6711 Remote Similarity NPD7741 Discontinued
0.671 Remote Similarity NPD9494 Approved
0.6708 Remote Similarity NPD4477 Approved
0.6708 Remote Similarity NPD4476 Approved
0.6707 Remote Similarity NPD8131 Suspended
0.6687 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6232 Discontinued
0.6667 Remote Similarity NPD6355 Discontinued
0.6667 Remote Similarity NPD8434 Phase 2
0.6667 Remote Similarity NPD5691 Approved
0.6667 Remote Similarity NPD1651 Approved
0.6667 Remote Similarity NPD6764 Approved
0.6667 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD6765 Approved
0.6648 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7075 Discontinued
0.6647 Remote Similarity NPD7411 Suspended
0.6646 Remote Similarity NPD1510 Phase 2
0.6646 Remote Similarity NPD3750 Approved
0.6645 Remote Similarity NPD2798 Approved
0.6645 Remote Similarity NPD1281 Approved
0.6645 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6858 Approved
0.6644 Remote Similarity NPD7094 Approved
0.6643 Remote Similarity NPD2342 Discontinued
0.6629 Remote Similarity NPD7799 Discontinued
0.6628 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6626 Remote Similarity NPD1549 Phase 2
0.6625 Remote Similarity NPD1607 Approved
0.6625 Remote Similarity NPD4097 Suspended
0.6615 Remote Similarity NPD7497 Discontinued
0.6614 Remote Similarity NPD7700 Phase 2
0.6614 Remote Similarity NPD7699 Phase 2
0.6608 Remote Similarity NPD7577 Discontinued
0.6607 Remote Similarity NPD7427 Discontinued
0.6606 Remote Similarity NPD2309 Approved
0.6605 Remote Similarity NPD2796 Approved
0.6604 Remote Similarity NPD2979 Phase 3
0.6604 Remote Similarity NPD1240 Approved
0.6604 Remote Similarity NPD943 Approved
0.6604 Remote Similarity NPD4060 Phase 1
0.6603 Remote Similarity NPD2861 Phase 2
0.66 Remote Similarity NPD7009 Phase 2
0.6597 Remote Similarity NPD6831 Clinical (unspecified phase)
0.659 Remote Similarity NPD4868 Clinical (unspecified phase)
0.658 Remote Similarity NPD8319 Approved
0.658 Remote Similarity NPD7871 Phase 2
0.658 Remote Similarity NPD8320 Phase 1
0.658 Remote Similarity NPD7870 Phase 2
0.6571 Remote Similarity NPD5494 Approved
0.657 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6564 Remote Similarity NPD5762 Approved
0.6564 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6564 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6564 Remote Similarity NPD5763 Approved
0.6558 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6554 Remote Similarity NPD2629 Approved
0.6552 Remote Similarity NPD3749 Approved
0.6545 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6545 Remote Similarity NPD4110 Phase 3
0.6543 Remote Similarity NPD6535 Approved
0.6543 Remote Similarity NPD6534 Approved
0.6543 Remote Similarity NPD651 Clinical (unspecified phase)
0.6528 Remote Similarity NPD7696 Phase 3
0.6528 Remote Similarity NPD7697 Approved
0.6528 Remote Similarity NPD7698 Approved
0.6528 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6785 Approved
0.6522 Remote Similarity NPD6784 Approved
0.6519 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6166 Phase 2
0.6517 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6513 Remote Similarity NPD1751 Approved
0.6512 Remote Similarity NPD1934 Approved
0.6507 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6506 Remote Similarity NPD6190 Approved
0.6503 Remote Similarity NPD2438 Suspended
0.65 Remote Similarity NPD7804 Clinical (unspecified phase)
0.65 Remote Similarity NPD3020 Approved
0.6494 Remote Similarity NPD4878 Approved
0.6488 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6485 Remote Similarity NPD3638 Discontinued
0.6484 Remote Similarity NPD6559 Discontinued
0.6481 Remote Similarity NPD7097 Phase 1
0.6474 Remote Similarity NPD2797 Approved
0.6467 Remote Similarity NPD9493 Approved
0.6463 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6776 Approved
0.6458 Remote Similarity NPD6777 Approved
0.6458 Remote Similarity NPD6779 Approved
0.6458 Remote Similarity NPD6778 Approved
0.6458 Remote Similarity NPD6782 Approved
0.6458 Remote Similarity NPD6781 Approved
0.6458 Remote Similarity NPD6780 Approved
0.6457 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6457 Remote Similarity NPD7833 Phase 2
0.6457 Remote Similarity NPD7831 Phase 2
0.6452 Remote Similarity NPD1755 Approved
0.6443 Remote Similarity NPD7435 Discontinued

Structure

External Identifiers

PubChem CID   66553579
ChEMBL   CHEMBL2087616
ZINC  

Physicochemical Properties

Molecular Weight:  546.41
ALogP:  1.953
MLogP:  5.2
XLogP:  11.85
# Rotatable Bonds:  9
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  40

Download Data

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