Natural Product: NPC473274

Natural Product ID:  NPC473274
Common Name:   Withanolide D
IUPAC Name:  
Synonyms:   Withanolide D
Molecular Formula:   C28H40O6
Standard InCHIKey:  SXRVZKCSEISBAO-LZNAQXCMSA-N
Standard InCHI:  InChI=1S/C28H40O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-24,30-32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19?,21-,22+,23+,24?,25-,26-,27+,28+/m0/s1
Canonical SMILES:  OC1O[C@H](CC(=C1C)C)[C@@](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=C[C@@H]3O)O2)(O)C
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
NPO28641 Tubocapsicum anomalum Species Solanaceae Eukaryota stems, roots, and leaves Da-Han Mountain, Kaohsiung, Taiwan 2004-OCT PMID[17417907]
NPO10618 Acnistus arborescens Species Solanaceae Eukaryota PMID[20590148]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 0.28 ug/ml 10.1039/C1MD00022E
NPT83 Cell Line MCF7 Homo sapiens IC50 = 0.37 ug/ml 23282083
NPT2 Others Unspecified IC50 = 7240 nM 26343828
NPT165 Cell Line HeLa Homo sapiens LC50 = 1300 nM 26343828
NPT83 Cell Line MCF7 Homo sapiens LC50 = 1100 nM 26343828
NPT2 Others Unspecified IC50 = 1370 nM 10.1007/s00044-007-9025-8
NPT2 Others Unspecified IC50 = 520 nM 23816880
NPT1020 Organism Pneumocystis carinii Pneumocystis carinii IC50 = 270 nM 25544370
NPT111 Cell Line K562 Homo sapiens IC50 = 1230 nM 25544370
NPT81 Cell Line A549 Homo sapiens IC50 = 0.33 ug/ml PubChem BioAssay data set
NPT65 Cell Line HepG2 Homo sapiens IC50 = 0.21 ug/ml 1335082
NPT171 Cell Line MRC5 Homo sapiens IC50 = 0.8 ug/ml 11000021

  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 NPC473274 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
0.982 High Similarity NPC473256
0.982 High Similarity NPC470878
0.9464 High Similarity NPC473270
0.9459 High Similarity NPC20302
0.9459 High Similarity NPC286528
0.9459 High Similarity NPC140055
0.9459 High Similarity NPC167606
0.9391 High Similarity NPC3381
0.9375 High Similarity NPC709
0.9375 High Similarity NPC50774
0.9292 High Similarity NPC264954
0.9286 High Similarity NPC470492
0.9286 High Similarity NPC312824
0.9286 High Similarity NPC470493
0.9286 High Similarity NPC183580
0.9237 High Similarity NPC473593
0.9211 High Similarity NPC474370
0.9189 High Similarity NPC122056
0.913 High Similarity NPC67569
0.9107 High Similarity NPC147912
0.9107 High Similarity NPC67259
0.9083 High Similarity NPC231240
0.9052 High Similarity NPC23786
0.9052 High Similarity NPC88326
0.9052 High Similarity NPC153700
0.9052 High Similarity NPC470265
0.9008 High Similarity NPC316915
0.8974 High Similarity NPC469789
0.8898 High Similarity NPC8369
0.8898 High Similarity NPC470494
0.8898 High Similarity NPC8374
0.887 High Similarity NPC186525
0.886 High Similarity NPC270929
0.8824 High Similarity NPC293112
0.8814 High Similarity NPC11895
0.8783 High Similarity NPC243065
0.876 High Similarity NPC476966
0.8739 High Similarity NPC172154
0.8739 High Similarity NPC81736
0.8729 High Similarity NPC170538
0.8707 High Similarity NPC329736
0.8678 High Similarity NPC473620
0.8673 High Similarity NPC474315
0.8632 High Similarity NPC61520
0.8609 High Similarity NPC284915
0.8596 High Similarity NPC191620
0.8584 High Similarity NPC29133
0.8534 High Similarity NPC64318
0.8512 High Similarity NPC473635
0.8509 High Similarity NPC470961
0.85 High Similarity NPC204812
0.8482 Intermediate Similarity NPC91034
0.8462 Intermediate Similarity NPC470959
0.8462 Intermediate Similarity NPC476965
0.8443 Intermediate Similarity NPC287423
0.8443 Intermediate Similarity NPC42399
0.843 Intermediate Similarity NPC241456
0.843 Intermediate Similarity NPC32868
0.8421 Intermediate Similarity NPC37116
0.839 Intermediate Similarity NPC475913
0.8374 Intermediate Similarity NPC245094
0.8364 Intermediate Similarity NPC476897
0.8333 Intermediate Similarity NPC46570
0.8333 Intermediate Similarity NPC475065
0.8319 Intermediate Similarity NPC475520
0.8319 Intermediate Similarity NPC476960
0.8319 Intermediate Similarity NPC329048
0.8319 Intermediate Similarity NPC474179
0.8319 Intermediate Similarity NPC330011
0.8319 Intermediate Similarity NPC475834
0.8306 Intermediate Similarity NPC471407
0.8293 Intermediate Similarity NPC305496
0.8293 Intermediate Similarity NPC156797
0.8291 Intermediate Similarity NPC475163
0.8279 Intermediate Similarity NPC318135
0.8276 Intermediate Similarity NPC69291
0.8276 Intermediate Similarity NPC236217
0.8264 Intermediate Similarity NPC269642
0.8264 Intermediate Similarity NPC107493
0.825 Intermediate Similarity NPC154491
0.825 Intermediate Similarity NPC268530
0.825 Intermediate Similarity NPC476961
0.8246 Intermediate Similarity NPC473482
0.8246 Intermediate Similarity NPC475418
0.8246 Intermediate Similarity NPC318363
0.824 Intermediate Similarity NPC173347
0.8235 Intermediate Similarity NPC45475
0.8226 Intermediate Similarity NPC311534
0.8197 Intermediate Similarity NPC120724
0.819 Intermediate Similarity NPC470960
0.8182 Intermediate Similarity NPC159456
0.8182 Intermediate Similarity NPC129434
0.8182 Intermediate Similarity NPC470418
0.8182 Intermediate Similarity NPC4021
0.8175 Intermediate Similarity NPC471855
0.8174 Intermediate Similarity NPC87335
0.8167 Intermediate Similarity NPC42673
0.8167 Intermediate Similarity NPC475041
0.8158 Intermediate Similarity NPC473284
0.8145 Intermediate Similarity NPC298841
0.8145 Intermediate Similarity NPC473253
0.8136 Intermediate Similarity NPC238667
0.812 Intermediate Similarity NPC476163
0.8115 Intermediate Similarity NPC28532
0.8103 Intermediate Similarity NPC235014
0.8103 Intermediate Similarity NPC473627
0.8099 Intermediate Similarity NPC476962
0.8099 Intermediate Similarity NPC251226
0.8087 Intermediate Similarity NPC220155
0.8083 Intermediate Similarity NPC311554
0.8083 Intermediate Similarity NPC473617
0.8083 Intermediate Similarity NPC473828
0.8083 Intermediate Similarity NPC473720
0.8083 Intermediate Similarity NPC257457
0.8067 Intermediate Similarity NPC302471
0.8067 Intermediate Similarity NPC470075
0.8053 Intermediate Similarity NPC475050
0.8051 Intermediate Similarity NPC471627
0.8051 Intermediate Similarity NPC317210
0.8051 Intermediate Similarity NPC471173
0.8034 Intermediate Similarity NPC471243
0.8034 Intermediate Similarity NPC474229
0.8033 Intermediate Similarity NPC202051
0.8033 Intermediate Similarity NPC476204
0.8033 Intermediate Similarity NPC170084
0.8017 Intermediate Similarity NPC472216
0.8017 Intermediate Similarity NPC477071
0.8017 Intermediate Similarity NPC232258
0.8017 Intermediate Similarity NPC284828
0.8017 Intermediate Similarity NPC173905
0.8017 Intermediate Similarity NPC5475
0.8017 Intermediate Similarity NPC214644
0.8017 Intermediate Similarity NPC230513
0.8016 Intermediate Similarity NPC231529
0.8016 Intermediate Similarity NPC470880
0.8016 Intermediate Similarity NPC104382
0.8 Intermediate Similarity NPC218970
0.8 Intermediate Similarity NPC474518
0.8 Intermediate Similarity NPC474483
0.8 Intermediate Similarity NPC144459
0.8 Intermediate Similarity NPC13713
0.8 Intermediate Similarity NPC55296
0.8 Intermediate Similarity NPC469684
0.8 Intermediate Similarity NPC471854
0.7984 Intermediate Similarity NPC470922
0.7983 Intermediate Similarity NPC220293
0.7983 Intermediate Similarity NPC74727
0.7983 Intermediate Similarity NPC474181
0.7967 Intermediate Similarity NPC470419
0.7966 Intermediate Similarity NPC269530
0.7966 Intermediate Similarity NPC205534
0.7953 Intermediate Similarity NPC196921
0.7953 Intermediate Similarity NPC220757
0.7951 Intermediate Similarity NPC473130
0.7951 Intermediate Similarity NPC281840
0.7951 Intermediate Similarity NPC470312
0.7951 Intermediate Similarity NPC48692
0.7951 Intermediate Similarity NPC79579
0.7949 Intermediate Similarity NPC154856
0.7949 Intermediate Similarity NPC76084
0.7949 Intermediate Similarity NPC475317
0.7949 Intermediate Similarity NPC52241
0.7946 Intermediate Similarity NPC476299
0.7946 Intermediate Similarity NPC474012
0.7937 Intermediate Similarity NPC476859
0.7934 Intermediate Similarity NPC153440
0.7934 Intermediate Similarity NPC239293
0.7934 Intermediate Similarity NPC291564
0.7934 Intermediate Similarity NPC113448
0.7931 Intermediate Similarity NPC300614
0.7931 Intermediate Similarity NPC472825
0.7931 Intermediate Similarity NPC177064
0.7931 Intermediate Similarity NPC90946
0.7928 Intermediate Similarity NPC253826
0.7928 Intermediate Similarity NPC474938
0.7928 Intermediate Similarity NPC126815
0.7928 Intermediate Similarity NPC474785
0.792 Intermediate Similarity NPC225049
0.792 Intermediate Similarity NPC203702
0.792 Intermediate Similarity NPC120994
0.7917 Intermediate Similarity NPC44170
0.7917 Intermediate Similarity NPC190286
0.7917 Intermediate Similarity NPC176840
0.7917 Intermediate Similarity NPC268954
0.7913 Intermediate Similarity NPC166607
0.7913 Intermediate Similarity NPC60681
0.7913 Intermediate Similarity NPC266570
0.7907 Intermediate Similarity NPC471234
0.7903 Intermediate Similarity NPC473979
0.7903 Intermediate Similarity NPC41129
0.7899 Intermediate Similarity NPC255017
0.7899 Intermediate Similarity NPC264153
0.7899 Intermediate Similarity NPC25909
0.7899 Intermediate Similarity NPC260665
0.7895 Intermediate Similarity NPC476237
0.7895 Intermediate Similarity NPC247957
0.7895 Intermediate Similarity NPC72151
0.7895 Intermediate Similarity NPC297617
0.7895 Intermediate Similarity NPC26478
0.7895 Intermediate Similarity NPC112009

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473274 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
0.9459 High Similarity NPD7115 Discovery
0.7857 Intermediate Similarity NPD4225 Approved
0.7823 Intermediate Similarity NPD6370 Approved
0.7734 Intermediate Similarity NPD7319 Approved
0.7692 Intermediate Similarity NPD6412 Phase 2
0.7661 Intermediate Similarity NPD6054 Approved
0.7656 Intermediate Similarity NPD7736 Approved
0.7638 Intermediate Similarity NPD7507 Approved
0.76 Intermediate Similarity NPD7503 Approved
0.7521 Intermediate Similarity NPD6882 Approved
0.7521 Intermediate Similarity NPD8297 Approved
0.75 Intermediate Similarity NPD5211 Phase 2
0.7479 Intermediate Similarity NPD6881 Approved
0.7479 Intermediate Similarity NPD6899 Approved
0.7479 Intermediate Similarity NPD6686 Approved
0.7477 Intermediate Similarity NPD6079 Approved
0.746 Intermediate Similarity NPD6016 Approved
0.746 Intermediate Similarity NPD6015 Approved
0.7438 Intermediate Similarity NPD6649 Approved
0.7438 Intermediate Similarity NPD6650 Approved
0.7422 Intermediate Similarity NPD7492 Approved
0.7402 Intermediate Similarity NPD5988 Approved
0.7395 Intermediate Similarity NPD5697 Approved
0.7381 Intermediate Similarity NPD6059 Approved
0.7381 Intermediate Similarity NPD6319 Approved
0.7373 Intermediate Similarity NPD5141 Approved
0.7364 Intermediate Similarity NPD6616 Approved
0.736 Intermediate Similarity NPD7328 Approved
0.736 Intermediate Similarity NPD7327 Approved
0.7355 Intermediate Similarity NPD4634 Approved
0.7355 Intermediate Similarity NPD6883 Approved
0.7355 Intermediate Similarity NPD7102 Approved
0.7355 Intermediate Similarity NPD7290 Approved
0.7339 Intermediate Similarity NPD3618 Phase 1
0.7328 Intermediate Similarity NPD5285 Approved
0.7328 Intermediate Similarity NPD5286 Approved
0.7328 Intermediate Similarity NPD4696 Approved
0.7328 Intermediate Similarity NPD7639 Approved
0.7328 Intermediate Similarity NPD7640 Approved
0.7323 Intermediate Similarity NPD8513 Phase 3
0.7323 Intermediate Similarity NPD8033 Approved
0.7311 Intermediate Similarity NPD6402 Approved
0.7311 Intermediate Similarity NPD7128 Approved
0.7311 Intermediate Similarity NPD5739 Approved
0.7311 Intermediate Similarity NPD6675 Approved
0.7308 Intermediate Similarity NPD7078 Approved
0.7308 Intermediate Similarity NPD8293 Discontinued
0.7302 Intermediate Similarity NPD7516 Approved
0.7297 Intermediate Similarity NPD5328 Approved
0.7295 Intermediate Similarity NPD8130 Phase 1
0.7295 Intermediate Similarity NPD6847 Approved
0.7295 Intermediate Similarity NPD6869 Approved
0.7295 Intermediate Similarity NPD6617 Approved
0.7273 Intermediate Similarity NPD6012 Approved
0.7273 Intermediate Similarity NPD6014 Approved
0.7273 Intermediate Similarity NPD6013 Approved
0.7273 Intermediate Similarity NPD6373 Approved
0.7273 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6372 Approved
0.7257 Intermediate Similarity NPD6399 Phase 3
0.7244 Intermediate Similarity NPD8294 Approved
0.7244 Intermediate Similarity NPD8377 Approved
0.7241 Intermediate Similarity NPD7638 Approved
0.7217 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD5221 Approved
0.7217 Intermediate Similarity NPD5222 Approved
0.7209 Intermediate Similarity NPD8328 Phase 3
0.7203 Intermediate Similarity NPD5224 Approved
0.7203 Intermediate Similarity NPD5225 Approved
0.7203 Intermediate Similarity NPD4633 Approved
0.7203 Intermediate Similarity NPD5226 Approved
0.719 Intermediate Similarity NPD7320 Approved
0.719 Intermediate Similarity NPD6011 Approved
0.7188 Intermediate Similarity NPD8516 Approved
0.7188 Intermediate Similarity NPD8379 Approved
0.7188 Intermediate Similarity NPD8515 Approved
0.7188 Intermediate Similarity NPD8517 Approved
0.7188 Intermediate Similarity NPD8335 Approved
0.7188 Intermediate Similarity NPD8378 Approved
0.7188 Intermediate Similarity NPD8380 Approved
0.7188 Intermediate Similarity NPD8296 Approved
0.7182 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD4632 Approved
0.7156 Intermediate Similarity NPD4786 Approved
0.7155 Intermediate Similarity NPD6083 Phase 2
0.7155 Intermediate Similarity NPD5173 Approved
0.7155 Intermediate Similarity NPD4755 Approved
0.7155 Intermediate Similarity NPD6084 Phase 2
0.7143 Intermediate Similarity NPD6009 Approved
0.7143 Intermediate Similarity NPD5175 Approved
0.7143 Intermediate Similarity NPD5174 Approved
0.713 Intermediate Similarity NPD4629 Approved
0.713 Intermediate Similarity NPD5210 Approved
0.7119 Intermediate Similarity NPD5223 Approved
0.7107 Intermediate Similarity NPD5701 Approved
0.7105 Intermediate Similarity NPD4202 Approved
0.708 Intermediate Similarity NPD5785 Approved
0.7073 Intermediate Similarity NPD6371 Approved
0.7073 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD4697 Phase 3
0.7043 Intermediate Similarity NPD7748 Approved
0.704 Intermediate Similarity NPD8133 Approved
0.7034 Intermediate Similarity NPD4700 Approved
0.7025 Intermediate Similarity NPD6008 Approved
0.7018 Intermediate Similarity NPD7515 Phase 2
0.7009 Intermediate Similarity NPD7902 Approved
0.6992 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6991 Remote Similarity NPD4753 Phase 2
0.6983 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6972 Remote Similarity NPD3667 Approved
0.6949 Remote Similarity NPD5696 Approved
0.6947 Remote Similarity NPD7604 Phase 2
0.6911 Remote Similarity NPD4730 Approved
0.6911 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6911 Remote Similarity NPD4729 Approved
0.6899 Remote Similarity NPD7101 Approved
0.6899 Remote Similarity NPD7100 Approved
0.688 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6866 Remote Similarity NPD6033 Approved
0.6847 Remote Similarity NPD3665 Phase 1
0.6847 Remote Similarity NPD3133 Approved
0.6847 Remote Similarity NPD3666 Approved
0.6838 Remote Similarity NPD5695 Phase 3
0.6833 Remote Similarity NPD5344 Discontinued
0.6829 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6822 Remote Similarity NPD6335 Approved
0.6818 Remote Similarity NPD6067 Discontinued
0.68 Remote Similarity NPD5251 Approved
0.68 Remote Similarity NPD5247 Approved
0.68 Remote Similarity NPD5250 Approved
0.68 Remote Similarity NPD5249 Phase 3
0.68 Remote Similarity NPD5248 Approved
0.6797 Remote Similarity NPD6868 Approved
0.6797 Remote Similarity NPD6274 Approved
0.6794 Remote Similarity NPD5983 Phase 2
0.6786 Remote Similarity NPD1694 Approved
0.6777 Remote Similarity NPD7632 Discontinued
0.6774 Remote Similarity NPD5128 Approved
0.6754 Remote Similarity NPD6672 Approved
0.6754 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6754 Remote Similarity NPD5737 Approved
0.6752 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6752 Remote Similarity NPD7900 Approved
0.6748 Remote Similarity NPD4767 Approved
0.6748 Remote Similarity NPD4768 Approved
0.6746 Remote Similarity NPD5216 Approved
0.6746 Remote Similarity NPD5215 Approved
0.6746 Remote Similarity NPD5217 Approved
0.6744 Remote Similarity NPD6317 Approved
0.6726 Remote Similarity NPD6684 Approved
0.6726 Remote Similarity NPD7334 Approved
0.6726 Remote Similarity NPD6409 Approved
0.6726 Remote Similarity NPD7521 Approved
0.6726 Remote Similarity NPD5330 Approved
0.6726 Remote Similarity NPD7146 Approved
0.6724 Remote Similarity NPD8034 Phase 2
0.6724 Remote Similarity NPD7637 Suspended
0.6724 Remote Similarity NPD5693 Phase 1
0.6724 Remote Similarity NPD8035 Phase 2
0.6721 Remote Similarity NPD4754 Approved
0.6716 Remote Similarity NPD6336 Discontinued
0.6696 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6693 Remote Similarity NPD6053 Discontinued
0.6692 Remote Similarity NPD6313 Approved
0.6692 Remote Similarity NPD6314 Approved
0.6667 Remote Similarity NPD5169 Approved
0.6667 Remote Similarity NPD5135 Approved
0.6667 Remote Similarity NPD4223 Phase 3
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4221 Approved
0.6667 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3573 Approved
0.6642 Remote Similarity NPD5956 Approved
0.664 Remote Similarity NPD5168 Approved
0.6637 Remote Similarity NPD5329 Approved
0.6637 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6637 Remote Similarity NPD5363 Approved
0.6614 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6614 Remote Similarity NPD5127 Approved
0.661 Remote Similarity NPD6001 Approved
0.6609 Remote Similarity NPD6903 Approved
0.6581 Remote Similarity NPD6411 Approved
0.6581 Remote Similarity NPD5281 Approved
0.6581 Remote Similarity NPD5284 Approved
0.6579 Remote Similarity NPD5690 Phase 2
0.6579 Remote Similarity NPD5279 Phase 3
0.6579 Remote Similarity NPD4623 Approved
0.6579 Remote Similarity NPD4519 Discontinued
0.6557 Remote Similarity NPD4159 Approved
0.6555 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6904 Approved
0.6552 Remote Similarity NPD6673 Approved
0.6552 Remote Similarity NPD6080 Approved
0.6549 Remote Similarity NPD3668 Phase 3
0.6549 Remote Similarity NPD4197 Approved
0.6544 Remote Similarity NPD8074 Phase 3
0.6541 Remote Similarity NPD6908 Approved
0.6541 Remote Similarity NPD6909 Approved
0.6525 Remote Similarity NPD5778 Approved

Structure

External Identifiers

PubChem CID   44423094
ChEMBL   CHEMBL390171
ZINC  

Physicochemical Properties

Molecular Weight:  472.28
ALogP:  0.9021
MLogP:  3.88
XLogP:  2.566
# Rotatable Bonds:  10
Polar Surface Area:  99.52
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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