Natural Product: NPC100849

Natural Product ID:  NPC100849
Common Name:   (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde
IUPAC Name:   (3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-6',7'-dicarbaldehyde
Synonyms:  
Molecular Formula:   C23H30O5
Standard InCHIKey:  WIGGVNIABVHHCS-QJAXDWLUSA-N
Standard InCHI:  InChI=1S/C23H30O5/c1-13-5-6-18-21(2,3)19(27)7-8-22(18,4)23(13)10-15-17(26)9-14(11-24)16(12-25)20(15)28-23/h9,11-13,18-19,26-27H,5-8,10H2,1-4H3/t13-,18+,19-,22+,23-/m1/s1
Canonical SMILES:  O=Cc1c(C=O)cc(c2c1O[C@]1(C2)[C@H](C)CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)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
NPO14816 Stachybotrys nephrospora Species Stachybotryaceae Eukaryota PMID[19299148]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.85 ug/ml 19299148
NPT5655 Individual Protein CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 Homo sapiens IC50 = 6700 nM 10.1039/C4MD00086B
NPT4188 Individual Protein Fucosyltransferase 5 Homo sapiens Ki = 10700 nM 10.1039/C4MD00086B
NPT4188 Individual Protein Fucosyltransferase 5 Homo sapiens Ki = 9700 nM 10.1039/C4MD00086B
NPT4188 Individual Protein Fucosyltransferase 5 Homo sapiens IC50 = 11300 nM 10.1039/C4MD00086B
NPT6722 Individual Protein Fucosyltransferase 6 Homo sapiens IC50 = 20900 nM 10.1039/C4MD00086B
NPT6629 Individual Protein CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase Homo sapiens IC50 = 10000 nM 10.1039/C4MD00086B
NPT6724 Individual Protein Beta-galactoside alpha-2,6-sialyltransferase 1 Homo sapiens IC50 = 610 nM 10.1039/C4MD00086B

  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 NPC100849 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
0.9375 High Similarity NPC125465
0.9313 High Similarity NPC314653
0.9313 High Similarity NPC316262
0.9299 High Similarity NPC272196
0.9202 High Similarity NPC315306
0.9202 High Similarity NPC313717
0.9182 High Similarity NPC313368
0.9182 High Similarity NPC470810
0.9167 High Similarity NPC40356
0.9167 High Similarity NPC154683
0.9119 High Similarity NPC218818
0.9119 High Similarity NPC4950
0.9103 High Similarity NPC470569
0.9096 High Similarity NPC478050
0.9074 High Similarity NPC136641
0.9062 High Similarity NPC472618
0.9057 High Similarity NPC196448
0.9038 High Similarity NPC147735
0.9038 High Similarity NPC470568
0.9 High Similarity NPC239118
0.9 High Similarity NPC472617
0.8994 High Similarity NPC477674
0.8981 High Similarity NPC470675
0.8981 High Similarity NPC149526
0.8981 High Similarity NPC473131
0.8981 High Similarity NPC478148
0.8981 High Similarity NPC474417
0.8976 High Similarity NPC98776
0.8938 High Similarity NPC158542
0.8938 High Similarity NPC44199
0.8924 High Similarity NPC268992
0.8924 High Similarity NPC51824
0.8924 High Similarity NPC470338
0.8924 High Similarity NPC470337
0.8924 High Similarity NPC113608
0.8924 High Similarity NPC180944
0.8924 High Similarity NPC470340
0.8924 High Similarity NPC87708
0.8917 High Similarity NPC202595
0.8917 High Similarity NPC290954
0.8917 High Similarity NPC255641
0.8875 High Similarity NPC180924
0.8869 High Similarity NPC475233
0.8868 High Similarity NPC208806
0.8868 High Similarity NPC477669
0.8861 High Similarity NPC232645
0.8861 High Similarity NPC72958
0.8846 High Similarity NPC118027
0.8846 High Similarity NPC245584
0.8846 High Similarity NPC126767
0.8846 High Similarity NPC56433
0.8846 High Similarity NPC312929
0.8846 High Similarity NPC190648
0.8846 High Similarity NPC289042
0.8834 High Similarity NPC475106
0.882 High Similarity NPC246647
0.882 High Similarity NPC164110
0.882 High Similarity NPC96342
0.882 High Similarity NPC212967
0.8812 High Similarity NPC68727
0.8812 High Similarity NPC477671
0.8812 High Similarity NPC477687
0.8805 High Similarity NPC271681
0.8805 High Similarity NPC273483
0.8797 High Similarity NPC225854
0.8797 High Similarity NPC294646
0.8797 High Similarity NPC321896
0.8797 High Similarity NPC476185
0.8795 High Similarity NPC20734
0.8795 High Similarity NPC54903
0.8795 High Similarity NPC286074
0.8782 High Similarity NPC470570
0.8765 High Similarity NPC186113
0.8765 High Similarity NPC476349
0.8765 High Similarity NPC470339
0.8765 High Similarity NPC324736
0.8765 High Similarity NPC472877
0.8765 High Similarity NPC476350
0.8758 High Similarity NPC4547
0.8758 High Similarity NPC477675
0.8758 High Similarity NPC146211
0.8758 High Similarity NPC164427
0.875 High Similarity NPC472799
0.875 High Similarity NPC214632
0.875 High Similarity NPC329844
0.875 High Similarity NPC155686
0.875 High Similarity NPC210942
0.875 High Similarity NPC135522
0.875 High Similarity NPC169990
0.8742 High Similarity NPC477673
0.8742 High Similarity NPC46882
0.8742 High Similarity NPC132990
0.8742 High Similarity NPC305965
0.8742 High Similarity NPC477672
0.8735 High Similarity NPC225419
0.8734 High Similarity NPC65589
0.8734 High Similarity NPC100985
0.8734 High Similarity NPC65775
0.8734 High Similarity NPC97029
0.8734 High Similarity NPC329933
0.8734 High Similarity NPC471114
0.8734 High Similarity NPC158338
0.8734 High Similarity NPC97028
0.8734 High Similarity NPC288036
0.8734 High Similarity NPC317492
0.8734 High Similarity NPC10027
0.8727 High Similarity NPC473286
0.8726 High Similarity NPC34802
0.8726 High Similarity NPC8817
0.872 High Similarity NPC473961
0.872 High Similarity NPC473022
0.8718 High Similarity NPC117716
0.8718 High Similarity NPC470674
0.8718 High Similarity NPC470673
0.8718 High Similarity NPC34482
0.8712 High Similarity NPC143050
0.8712 High Similarity NPC472055
0.871 High Similarity NPC3732
0.8704 High Similarity NPC268360
0.8704 High Similarity NPC296957
0.8704 High Similarity NPC260902
0.8696 High Similarity NPC148938
0.8696 High Similarity NPC175192
0.8696 High Similarity NPC149618
0.8696 High Similarity NPC89625
0.869 High Similarity NPC118128
0.869 High Similarity NPC76128
0.869 High Similarity NPC111536
0.869 High Similarity NPC30432
0.869 High Similarity NPC472620
0.869 High Similarity NPC271385
0.869 High Similarity NPC5029
0.8688 High Similarity NPC474843
0.8688 High Similarity NPC217447
0.8679 High Similarity NPC119929
0.8679 High Similarity NPC150928
0.8675 High Similarity NPC85047
0.8675 High Similarity NPC472621
0.8675 High Similarity NPC165460
0.8675 High Similarity NPC120857
0.8675 High Similarity NPC17274
0.8671 High Similarity NPC27221
0.8671 High Similarity NPC256672
0.8671 High Similarity NPC168085
0.8671 High Similarity NPC7025
0.8671 High Similarity NPC39195
0.8667 High Similarity NPC472278
0.8667 High Similarity NPC18100
0.8667 High Similarity NPC469395
0.8667 High Similarity NPC476295
0.8667 High Similarity NPC329669
0.8667 High Similarity NPC473313
0.8662 High Similarity NPC290133
0.8662 High Similarity NPC187282
0.8662 High Similarity NPC470357
0.8662 High Similarity NPC73320
0.8662 High Similarity NPC24136
0.8659 High Similarity NPC45124
0.8659 High Similarity NPC18380
0.8659 High Similarity NPC74854
0.8659 High Similarity NPC137232
0.8659 High Similarity NPC30655
0.8654 High Similarity NPC48762
0.8654 High Similarity NPC19896
0.865 High Similarity NPC226287
0.865 High Similarity NPC85121
0.865 High Similarity NPC472299
0.8647 High Similarity NPC312630
0.8647 High Similarity NPC472661
0.8647 High Similarity NPC324220
0.8642 High Similarity NPC160015
0.8642 High Similarity NPC247677
0.8639 High Similarity NPC469393
0.8634 High Similarity NPC193200
0.8634 High Similarity NPC42458
0.8634 High Similarity NPC158261
0.8634 High Similarity NPC235333
0.8631 High Similarity NPC477572
0.8631 High Similarity NPC477573
0.8631 High Similarity NPC477571
0.8625 High Similarity NPC258249
0.8625 High Similarity NPC474744
0.8625 High Similarity NPC106372
0.8625 High Similarity NPC58668
0.8625 High Similarity NPC472423
0.8625 High Similarity NPC474772
0.8623 High Similarity NPC234497
0.8623 High Similarity NPC472622
0.8623 High Similarity NPC76647
0.8623 High Similarity NPC105414
0.8623 High Similarity NPC470341
0.8623 High Similarity NPC324522
0.8623 High Similarity NPC472058
0.8616 High Similarity NPC291049
0.8616 High Similarity NPC233267
0.8614 High Similarity NPC25361
0.8614 High Similarity NPC472277
0.8614 High Similarity NPC474591
0.8614 High Similarity NPC469664
0.8614 High Similarity NPC472049

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC100849 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
0.8599 High Similarity NPD2534 Approved
0.8599 High Similarity NPD2533 Approved
0.8599 High Similarity NPD2532 Approved
0.8545 High Similarity NPD6959 Discontinued
0.8293 Intermediate Similarity NPD7819 Suspended
0.8293 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.828 Intermediate Similarity NPD2800 Approved
0.8274 Intermediate Similarity NPD6232 Discontinued
0.825 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8242 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD7473 Discontinued
0.8208 Intermediate Similarity NPD6559 Discontinued
0.8182 Intermediate Similarity NPD5761 Phase 2
0.8182 Intermediate Similarity NPD5760 Phase 2
0.8155 Intermediate Similarity NPD5494 Approved
0.8141 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD5844 Phase 1
0.8137 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD4380 Phase 2
0.8101 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD1549 Phase 2
0.8089 Intermediate Similarity NPD6100 Approved
0.8089 Intermediate Similarity NPD6099 Approved
0.8049 Intermediate Similarity NPD3226 Approved
0.8038 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8036 Intermediate Similarity NPD3749 Approved
0.8012 Intermediate Similarity NPD1934 Approved
0.8 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD3818 Discontinued
0.7976 Intermediate Similarity NPD3882 Suspended
0.7975 Intermediate Similarity NPD2796 Approved
0.7953 Intermediate Similarity NPD5711 Approved
0.7953 Intermediate Similarity NPD5710 Approved
0.7952 Intermediate Similarity NPD7411 Suspended
0.7929 Intermediate Similarity NPD7075 Discontinued
0.7911 Intermediate Similarity NPD1510 Phase 2
0.7898 Intermediate Similarity NPD1607 Approved
0.7892 Intermediate Similarity NPD6599 Discontinued
0.7877 Intermediate Similarity NPD8434 Phase 2
0.787 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD7768 Phase 2
0.7862 Intermediate Similarity NPD1551 Phase 2
0.7861 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD6166 Phase 2
0.7857 Intermediate Similarity NPD2801 Approved
0.7857 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD920 Approved
0.7805 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7802 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7798 Intermediate Similarity NPD6801 Discontinued
0.7778 Intermediate Similarity NPD4628 Phase 3
0.7771 Intermediate Similarity NPD1240 Approved
0.7759 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD7390 Discontinued
0.7744 Intermediate Similarity NPD1511 Approved
0.7725 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7702 Intermediate Similarity NPD2346 Discontinued
0.7697 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD37 Approved
0.7673 Intermediate Similarity NPD6651 Approved
0.7669 Intermediate Similarity NPD3750 Approved
0.7661 Intermediate Similarity NPD4965 Approved
0.7661 Intermediate Similarity NPD4966 Approved
0.7661 Intermediate Similarity NPD4967 Phase 2
0.7654 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD6273 Approved
0.7651 Intermediate Similarity NPD1512 Approved
0.7644 Intermediate Similarity NPD7229 Phase 3
0.7643 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD2935 Discontinued
0.7627 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD8313 Approved
0.7611 Intermediate Similarity NPD8312 Approved
0.7607 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD2344 Approved
0.7586 Intermediate Similarity NPD1247 Approved
0.7584 Intermediate Similarity NPD7074 Phase 3
0.7576 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD6234 Discontinued
0.753 Intermediate Similarity NPD6799 Approved
0.7528 Intermediate Similarity NPD7054 Approved
0.7513 Intermediate Similarity NPD6782 Approved
0.7513 Intermediate Similarity NPD6777 Approved
0.7513 Intermediate Similarity NPD6779 Approved
0.7513 Intermediate Similarity NPD6778 Approved
0.7513 Intermediate Similarity NPD6776 Approved
0.7513 Intermediate Similarity NPD6780 Approved
0.7513 Intermediate Similarity NPD6781 Approved
0.75 Intermediate Similarity NPD5402 Approved
0.75 Intermediate Similarity NPD3817 Phase 2
0.75 Intermediate Similarity NPD1243 Approved
0.7486 Intermediate Similarity NPD7472 Approved
0.7485 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7472 Intermediate Similarity NPD3751 Discontinued
0.7471 Intermediate Similarity NPD919 Approved
0.7469 Intermediate Similarity NPD2799 Discontinued
0.7468 Intermediate Similarity NPD4625 Phase 3
0.7455 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD7003 Approved
0.7444 Intermediate Similarity NPD5953 Discontinued
0.7444 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD6797 Phase 2
0.7442 Intermediate Similarity NPD1465 Phase 2
0.7421 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD2309 Approved
0.7403 Intermediate Similarity NPD7251 Discontinued
0.7401 Intermediate Similarity NPD3926 Phase 2
0.7396 Intermediate Similarity NPD7698 Approved
0.7396 Intermediate Similarity NPD7696 Phase 3
0.7396 Intermediate Similarity NPD7435 Discontinued
0.7396 Intermediate Similarity NPD7697 Approved
0.7391 Intermediate Similarity NPD8150 Discontinued
0.7386 Intermediate Similarity NPD7199 Phase 2
0.7385 Intermediate Similarity NPD8151 Discontinued
0.7378 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7374 Intermediate Similarity NPD7228 Approved
0.7371 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD7808 Phase 3
0.7362 Intermediate Similarity NPD3748 Approved
0.7358 Intermediate Similarity NPD7870 Phase 2
0.7358 Intermediate Similarity NPD7871 Phase 2
0.7333 Intermediate Similarity NPD7286 Phase 2
0.7325 Intermediate Similarity NPD1470 Approved
0.7317 Intermediate Similarity NPD5406 Approved
0.7317 Intermediate Similarity NPD5405 Approved
0.7317 Intermediate Similarity NPD5404 Approved
0.7317 Intermediate Similarity NPD5408 Approved
0.7312 Intermediate Similarity NPD3764 Approved
0.7312 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7458 Discontinued
0.7308 Intermediate Similarity NPD4749 Approved
0.7296 Intermediate Similarity NPD4908 Phase 1
0.7294 Intermediate Similarity NPD5403 Approved
0.7278 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1471 Phase 3
0.7261 Intermediate Similarity NPD6696 Suspended
0.7256 Intermediate Similarity NPD7033 Discontinued
0.7249 Intermediate Similarity NPD4363 Phase 3
0.7249 Intermediate Similarity NPD6534 Approved
0.7249 Intermediate Similarity NPD4360 Phase 2
0.7249 Intermediate Similarity NPD6535 Approved
0.7247 Intermediate Similarity NPD3787 Discontinued
0.7245 Intermediate Similarity NPD7701 Phase 2
0.7243 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7801 Approved
0.7222 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7783 Phase 2
0.7213 Intermediate Similarity NPD3658 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4361 Phase 2
0.7211 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD2313 Discontinued
0.7191 Intermediate Similarity NPD8127 Discontinued
0.7182 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD7177 Discontinued
0.7178 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD5124 Phase 1
0.7178 Intermediate Similarity NPD230 Phase 1
0.7176 Intermediate Similarity NPD5401 Approved
0.7172 Intermediate Similarity NPD7874 Approved
0.7172 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD6823 Phase 2
0.715 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7699 Phase 2
0.7135 Intermediate Similarity NPD7700 Phase 2
0.7128 Intermediate Similarity NPD4287 Approved
0.7126 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD6764 Approved
0.712 Intermediate Similarity NPD6765 Approved
0.7117 Intermediate Similarity NPD943 Approved
0.7117 Intermediate Similarity NPD4140 Approved
0.7093 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD8319 Approved
0.7092 Intermediate Similarity NPD8320 Phase 1
0.7083 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD2403 Approved
0.707 Intermediate Similarity NPD1201 Approved
0.707 Intermediate Similarity NPD1610 Phase 2
0.7066 Intermediate Similarity NPD6004 Phase 3
0.7066 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD6002 Phase 3
0.7066 Intermediate Similarity NPD6005 Phase 3
0.7059 Intermediate Similarity NPD4111 Phase 1
0.7059 Intermediate Similarity NPD4665 Approved
0.7048 Intermediate Similarity NPD4308 Phase 3
0.7048 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD7240 Approved
0.7025 Intermediate Similarity NPD3972 Approved
0.7019 Intermediate Similarity NPD2861 Phase 2
0.7012 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD1613 Approved
0.7006 Intermediate Similarity NPD5616 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1203 Approved

Structure

External Identifiers

PubChem CID   9886484
ChEMBL   CHEMBL1170899
ZINC  

Physicochemical Properties

Molecular Weight:  386.21
ALogP:  9.00E-04
MLogP:  3.44
XLogP:  3.674
# Rotatable Bonds:  8
Polar Surface Area:  83.83
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  28

Download Data

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Biological Activities  
Similar NPs/Drugs