Natural Product: NPC105073

Natural Product ID:  NPC105073
Common Name:   Vaticaphenol A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C56H42O12
Standard InCHIKey:  VOANMQWFRWOKSM-IUAFFJJUSA-N
Standard InCHI:  InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-49(45(53(44)54(51)52)26-3-11-31(58)12-4-26)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50-,53+,55-,56+/m1/s1
Canonical SMILES:  Oc1ccc(cc1)[C@@H]1[C@@H](c2cc(O)cc3c2[C@H](c2cc(O)cc(c2)O)[C@H](O3)c2ccc(cc2)O)c2c3[C@H]1[C@H](c1ccc(cc1)O)c1c(O)cc(cc1[C@@H]1c3c(cc2O)O[C@H]1c1ccc(cc1)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
NPO32506 Vatica oblongifolia Species Dipterocarpaceae Eukaryota Stem barks PMID[12444676]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis MIC = 25 ug/ml 10.6019/CHEMBL1201861
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug/ml 10.6019/CHEMBL1201861

  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 NPC105073 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
1.0 High Similarity NPC233886
1.0 High Similarity NPC224528
0.986 High Similarity NPC122980
0.986 High Similarity NPC180605
0.986 High Similarity NPC107862
0.986 High Similarity NPC148516
0.986 High Similarity NPC177172
0.9792 High Similarity NPC218801
0.9724 High Similarity NPC157081
0.972 High Similarity NPC111134
0.9583 High Similarity NPC112819
0.9583 High Similarity NPC6702
0.9583 High Similarity NPC133209
0.9524 High Similarity NPC120633
0.9524 High Similarity NPC473018
0.9448 High Similarity NPC242774
0.9448 High Similarity NPC237546
0.9448 High Similarity NPC231712
0.9448 High Similarity NPC224921
0.9444 High Similarity NPC149633
0.9247 High Similarity NPC176804
0.9247 High Similarity NPC14468
0.9247 High Similarity NPC71686
0.9079 High Similarity NPC202104
0.9013 High Similarity NPC157333
0.8966 High Similarity NPC174787
0.8966 High Similarity NPC213607
0.8966 High Similarity NPC182509
0.8951 High Similarity NPC15109
0.8951 High Similarity NPC11727
0.8951 High Similarity NPC125579
0.8828 High Similarity NPC470308
0.8828 High Similarity NPC470307
0.8759 High Similarity NPC471522
0.8758 High Similarity NPC476391
0.8671 High Similarity NPC48880
0.863 High Similarity NPC141717
0.86 High Similarity NPC304894
0.86 High Similarity NPC15659
0.8581 High Similarity NPC273623
0.8552 High Similarity NPC473665
0.8542 High Similarity NPC238168
0.8542 High Similarity NPC237424
0.8542 High Similarity NPC473309
0.8533 High Similarity NPC173203
0.8533 High Similarity NPC163508
0.8516 High Similarity NPC59692
0.8516 High Similarity NPC233467
0.85 High Similarity NPC261896
0.8497 Intermediate Similarity NPC20757
0.8497 Intermediate Similarity NPC227516
0.8497 Intermediate Similarity NPC329836
0.8493 Intermediate Similarity NPC476615
0.8493 Intermediate Similarity NPC473107
0.8493 Intermediate Similarity NPC476616
0.8493 Intermediate Similarity NPC476617
0.8472 Intermediate Similarity NPC254000
0.8452 Intermediate Similarity NPC324517
0.8452 Intermediate Similarity NPC329343
0.8452 Intermediate Similarity NPC321972
0.8446 Intermediate Similarity NPC472646
0.8446 Intermediate Similarity NPC71465
0.8438 Intermediate Similarity NPC90822
0.8435 Intermediate Similarity NPC258780
0.8435 Intermediate Similarity NPC37410
0.8403 Intermediate Similarity NPC471519
0.8403 Intermediate Similarity NPC471518
0.84 Intermediate Similarity NPC277331
0.84 Intermediate Similarity NPC100482
0.8397 Intermediate Similarity NPC279406
0.8397 Intermediate Similarity NPC226809
0.8387 Intermediate Similarity NPC477612
0.8378 Intermediate Similarity NPC133463
0.8378 Intermediate Similarity NPC206525
0.8378 Intermediate Similarity NPC191462
0.8378 Intermediate Similarity NPC472648
0.8378 Intermediate Similarity NPC472649
0.8378 Intermediate Similarity NPC170328
0.8378 Intermediate Similarity NPC472647
0.8355 Intermediate Similarity NPC475492
0.8344 Intermediate Similarity NPC224161
0.8323 Intermediate Similarity NPC473266
0.8323 Intermediate Similarity NPC470826
0.8323 Intermediate Similarity NPC470098
0.8312 Intermediate Similarity NPC204770
0.8312 Intermediate Similarity NPC328567
0.8312 Intermediate Similarity NPC108811
0.8312 Intermediate Similarity NPC202742
0.8312 Intermediate Similarity NPC327412
0.8312 Intermediate Similarity NPC170103
0.8312 Intermediate Similarity NPC236202
0.8312 Intermediate Similarity NPC82917
0.8312 Intermediate Similarity NPC320970
0.8312 Intermediate Similarity NPC153182
0.8312 Intermediate Similarity NPC58190
0.8312 Intermediate Similarity NPC262911
0.8312 Intermediate Similarity NPC294558
0.8312 Intermediate Similarity NPC263940
0.8312 Intermediate Similarity NPC18185
0.8312 Intermediate Similarity NPC320671
0.8312 Intermediate Similarity NPC70409
0.8312 Intermediate Similarity NPC174251
0.8301 Intermediate Similarity NPC181615
0.8299 Intermediate Similarity NPC469610
0.8291 Intermediate Similarity NPC46335
0.8288 Intermediate Similarity NPC300875
0.8288 Intermediate Similarity NPC129784
0.8288 Intermediate Similarity NPC236014
0.8288 Intermediate Similarity NPC207892
0.8288 Intermediate Similarity NPC471517
0.8288 Intermediate Similarity NPC282508
0.8288 Intermediate Similarity NPC12875
0.8288 Intermediate Similarity NPC228369
0.8288 Intermediate Similarity NPC129106
0.8288 Intermediate Similarity NPC476166
0.8288 Intermediate Similarity NPC268917
0.8288 Intermediate Similarity NPC280653
0.8288 Intermediate Similarity NPC17343
0.8288 Intermediate Similarity NPC271945
0.8288 Intermediate Similarity NPC118114
0.8288 Intermediate Similarity NPC150011
0.8288 Intermediate Similarity NPC181497
0.8288 Intermediate Similarity NPC196765
0.8288 Intermediate Similarity NPC206224
0.8288 Intermediate Similarity NPC164574
0.8288 Intermediate Similarity NPC8899
0.8247 Intermediate Similarity NPC96576
0.8247 Intermediate Similarity NPC260397
0.8247 Intermediate Similarity NPC274454
0.8247 Intermediate Similarity NPC317053
0.8247 Intermediate Similarity NPC215678
0.8247 Intermediate Similarity NPC324492
0.8243 Intermediate Similarity NPC97834
0.8243 Intermediate Similarity NPC115335
0.8243 Intermediate Similarity NPC225696
0.8243 Intermediate Similarity NPC198154
0.8243 Intermediate Similarity NPC296915
0.8243 Intermediate Similarity NPC223008
0.8231 Intermediate Similarity NPC469611
0.8231 Intermediate Similarity NPC13005
0.8224 Intermediate Similarity NPC277784
0.8219 Intermediate Similarity NPC27187
0.8219 Intermediate Similarity NPC470225
0.8217 Intermediate Similarity NPC471403
0.8205 Intermediate Similarity NPC318373
0.8205 Intermediate Similarity NPC470208
0.8205 Intermediate Similarity NPC321657
0.8205 Intermediate Similarity NPC295573
0.8205 Intermediate Similarity NPC211561
0.8205 Intermediate Similarity NPC476969
0.82 Intermediate Similarity NPC94994
0.82 Intermediate Similarity NPC474687
0.8194 Intermediate Similarity NPC9292
0.8194 Intermediate Similarity NPC145659
0.8194 Intermediate Similarity NPC262297
0.8153 Intermediate Similarity NPC118000
0.8153 Intermediate Similarity NPC205501
0.8153 Intermediate Similarity NPC162976
0.8151 Intermediate Similarity NPC93962
0.8137 Intermediate Similarity NPC470827
0.8137 Intermediate Similarity NPC147743
0.8137 Intermediate Similarity NPC73517
0.8137 Intermediate Similarity NPC4809
0.8137 Intermediate Similarity NPC125495
0.8133 Intermediate Similarity NPC3049
0.8129 Intermediate Similarity NPC102280
0.8129 Intermediate Similarity NPC248053
0.8129 Intermediate Similarity NPC155564
0.8125 Intermediate Similarity NPC113495
0.8117 Intermediate Similarity NPC471415
0.8117 Intermediate Similarity NPC470097
0.8117 Intermediate Similarity NPC114119
0.8101 Intermediate Similarity NPC259707
0.8092 Intermediate Similarity NPC472092
0.8092 Intermediate Similarity NPC472091
0.8092 Intermediate Similarity NPC472090
0.8092 Intermediate Similarity NPC221134
0.8086 Intermediate Similarity NPC106601
0.8086 Intermediate Similarity NPC212614
0.8086 Intermediate Similarity NPC86630
0.8086 Intermediate Similarity NPC151474
0.8086 Intermediate Similarity NPC471404
0.8086 Intermediate Similarity NPC470828
0.8086 Intermediate Similarity NPC205613
0.8086 Intermediate Similarity NPC159526
0.8082 Intermediate Similarity NPC53986
0.8082 Intermediate Similarity NPC38664
0.8082 Intermediate Similarity NPC39064
0.8082 Intermediate Similarity NPC47283
0.8075 Intermediate Similarity NPC166116
0.8075 Intermediate Similarity NPC55463
0.8069 Intermediate Similarity NPC262573
0.8069 Intermediate Similarity NPC471215
0.8056 Intermediate Similarity NPC97578
0.8054 Intermediate Similarity NPC77196
0.8054 Intermediate Similarity NPC85435
0.8052 Intermediate Similarity NPC184607
0.805 Intermediate Similarity NPC46283
0.805 Intermediate Similarity NPC272552
0.805 Intermediate Similarity NPC322899

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC105073 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
0.8345 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.8207 Intermediate Similarity NPD4908 Phase 1
0.7891 Intermediate Similarity NPD2861 Phase 2
0.7847 Intermediate Similarity NPD1610 Phase 2
0.7785 Intermediate Similarity NPD4625 Phase 3
0.7576 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD1548 Phase 1
0.756 Intermediate Similarity NPD7199 Phase 2
0.756 Intermediate Similarity NPD6959 Discontinued
0.7532 Intermediate Similarity NPD3892 Phase 2
0.7516 Intermediate Similarity NPD1613 Approved
0.7516 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD5735 Approved
0.7425 Intermediate Similarity NPD7768 Phase 2
0.7419 Intermediate Similarity NPD6353 Approved
0.7383 Intermediate Similarity NPD5327 Phase 3
0.7383 Intermediate Similarity NPD4749 Approved
0.7368 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD7447 Phase 1
0.7341 Intermediate Similarity NPD7228 Approved
0.7337 Intermediate Similarity NPD6234 Discontinued
0.7321 Intermediate Similarity NPD4965 Approved
0.7321 Intermediate Similarity NPD4967 Phase 2
0.7321 Intermediate Similarity NPD4966 Approved
0.731 Intermediate Similarity NPD7229 Phase 3
0.7305 Intermediate Similarity NPD7819 Suspended
0.7303 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD7037 Approved
0.729 Intermediate Similarity NPD4060 Phase 1
0.7284 Intermediate Similarity NPD7212 Phase 2
0.7284 Intermediate Similarity NPD7213 Phase 3
0.7267 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD5763 Approved
0.7233 Intermediate Similarity NPD5762 Approved
0.7225 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD3027 Phase 3
0.7205 Intermediate Similarity NPD7466 Approved
0.7202 Intermediate Similarity NPD8455 Phase 2
0.7197 Intermediate Similarity NPD2157 Approved
0.7179 Intermediate Similarity NPD4140 Approved
0.7178 Intermediate Similarity NPD7041 Phase 2
0.7178 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD37 Approved
0.7134 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD5124 Phase 1
0.7105 Intermediate Similarity NPD6696 Suspended
0.7099 Intermediate Similarity NPD3750 Approved
0.7095 Intermediate Similarity NPD7741 Discontinued
0.7095 Intermediate Similarity NPD8312 Approved
0.7095 Intermediate Similarity NPD8313 Approved
0.7063 Intermediate Similarity NPD6100 Approved
0.7063 Intermediate Similarity NPD6099 Approved
0.7051 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6674 Discontinued
0.703 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4624 Approved
0.7006 Intermediate Similarity NPD5844 Phase 1
0.7 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.6993 Remote Similarity NPD8651 Approved
0.6983 Remote Similarity NPD7240 Approved
0.6982 Remote Similarity NPD7411 Suspended
0.6981 Remote Similarity NPD4097 Suspended
0.6977 Remote Similarity NPD3749 Approved
0.6964 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6962 Remote Similarity NPD3620 Phase 2
0.6962 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6961 Remote Similarity NPD8054 Approved
0.6961 Remote Similarity NPD8053 Approved
0.6954 Remote Similarity NPD8127 Discontinued
0.6944 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6932 Remote Similarity NPD6166 Phase 2
0.6932 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6932 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6928 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4380 Phase 2
0.6914 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6005 Phase 3
0.6914 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6004 Phase 3
0.6914 Remote Similarity NPD6002 Phase 3
0.6903 Remote Similarity NPD6584 Phase 3
0.6893 Remote Similarity NPD7473 Discontinued
0.689 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6886 Remote Similarity NPD6273 Approved
0.6882 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7831 Phase 2
0.6879 Remote Similarity NPD7833 Phase 2
0.6879 Remote Similarity NPD7832 Clinical (unspecified phase)
0.6879 Remote Similarity NPD7075 Discontinued
0.6871 Remote Similarity NPD1549 Phase 2
0.6867 Remote Similarity NPD3091 Approved
0.6867 Remote Similarity NPD7390 Discontinued
0.6839 Remote Similarity NPD3094 Phase 2
0.6835 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7119 Phase 2
0.6832 Remote Similarity NPD7097 Phase 1
0.6831 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6826 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6823 Remote Similarity NPD7680 Approved
0.6818 Remote Similarity NPD6232 Discontinued
0.6816 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6816 Remote Similarity NPD8156 Discontinued
0.6813 Remote Similarity NPD6355 Discontinued
0.68 Remote Similarity NPD5494 Approved
0.6797 Remote Similarity NPD422 Phase 1
0.6797 Remote Similarity NPD3092 Approved
0.6796 Remote Similarity NPD6559 Discontinued
0.6792 Remote Similarity NPD8032 Phase 2
0.679 Remote Similarity NPD5588 Approved
0.679 Remote Similarity NPD3748 Approved
0.6788 Remote Similarity NPD7003 Approved
0.6779 Remote Similarity NPD6671 Approved
0.6765 Remote Similarity NPD8158 Clinical (unspecified phase)
0.676 Remote Similarity NPD8252 Approved
0.676 Remote Similarity NPD8251 Approved
0.676 Remote Similarity NPD8099 Discontinued
0.6752 Remote Similarity NPD5736 Approved
0.6752 Remote Similarity NPD3018 Phase 2
0.6744 Remote Similarity NPD1934 Approved
0.6727 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6726 Remote Similarity NPD2533 Approved
0.6726 Remote Similarity NPD2534 Approved
0.6726 Remote Similarity NPD7019 Approved
0.6726 Remote Similarity NPD7020 Approved
0.6726 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6726 Remote Similarity NPD2532 Approved
0.6723 Remote Similarity NPD3787 Discontinued
0.672 Remote Similarity NPD8397 Clinical (unspecified phase)
0.671 Remote Similarity NPD6582 Phase 2
0.671 Remote Similarity NPD6583 Phase 3
0.6705 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6689 Remote Similarity NPD7843 Approved
0.6687 Remote Similarity NPD1510 Phase 2
0.6687 Remote Similarity NPD6663 Approved
0.6687 Remote Similarity NPD7033 Discontinued
0.6686 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6685 Remote Similarity NPD7074 Phase 3
0.6667 Remote Similarity NPD3095 Discontinued
0.6667 Remote Similarity NPD4626 Approved
0.6667 Remote Similarity NPD3818 Discontinued
0.6667 Remote Similarity NPD7906 Approved
0.6667 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6667 Remote Similarity NPD970 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7157 Approved
0.6647 Remote Similarity NPD7427 Discontinued
0.6646 Remote Similarity NPD2796 Approved
0.6646 Remote Similarity NPD2238 Phase 2
0.663 Remote Similarity NPD7054 Approved
0.6629 Remote Similarity NPD3882 Suspended
0.6629 Remote Similarity NPD7773 Phase 2
0.6626 Remote Similarity NPD4536 Approved
0.6626 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6626 Remote Similarity NPD4538 Approved
0.6625 Remote Similarity NPD6798 Discontinued
0.6623 Remote Similarity NPD7340 Approved
0.6615 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6608 Remote Similarity NPD1653 Approved
0.6607 Remote Similarity NPD6667 Approved
0.6607 Remote Similarity NPD5058 Phase 3
0.6607 Remote Similarity NPD6666 Approved
0.6603 Remote Similarity NPD2982 Phase 2
0.6603 Remote Similarity NPD2983 Phase 2
0.6601 Remote Similarity NPD5691 Approved
0.6599 Remote Similarity NPD4750 Phase 3
0.6595 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7472 Approved
0.6592 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6587 Remote Similarity NPD6331 Phase 2
0.6585 Remote Similarity NPD4108 Discontinued
0.6585 Remote Similarity NPD5960 Phase 3
0.6581 Remote Similarity NPD1091 Approved
0.6576 Remote Similarity NPD7549 Discontinued
0.6576 Remote Similarity NPD7808 Phase 3
0.6575 Remote Similarity NPD2342 Discontinued
0.6568 Remote Similarity NPD1511 Approved
0.6562 Remote Similarity NPD7095 Approved
0.6561 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6558 Remote Similarity NPD6516 Phase 2
0.6558 Remote Similarity NPD5846 Approved
0.6558 Remote Similarity NPD4059 Approved
0.6552 Remote Similarity NPD6801 Discontinued
0.6545 Remote Similarity NPD5404 Approved
0.6545 Remote Similarity NPD5406 Approved
0.6545 Remote Similarity NPD5405 Approved
0.6545 Remote Similarity NPD4477 Approved
0.6545 Remote Similarity NPD5408 Approved
0.6545 Remote Similarity NPD4476 Approved
0.6541 Remote Similarity NPD7310 Approved
0.6541 Remote Similarity NPD7312 Approved
0.6541 Remote Similarity NPD4578 Approved
0.6541 Remote Similarity NPD1712 Approved

Structure

External Identifiers

PubChem CID   44575972
ChEMBL   CHEMBL524906
ZINC  

Physicochemical Properties

Molecular Weight:  906.27
ALogP:  -5.5386
MLogP:  6.3
XLogP:  8.118
# Rotatable Bonds:  16
Polar Surface Area:  220.76
# H-Bond Aceptor:  0
# H-Bond Donor:  10
# Rings:  12
# Heavy Atoms:  68

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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