Natural Product: NPC470847

Natural Product ID:  NPC470847
Common Name:   Thapoxepine A
IUPAC Name:   (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[2-(2-methylpropanoylamino)pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylic acid
Synonyms:  
Molecular Formula:   C35H36N2O10
Standard InCHIKey:  FMHVIGUSSUUWEI-NZCFYVQDSA-N
Standard InCHI:  InChI=1S/C35H36N2O10/c1-19(2)32(39)36-25-11-8-16-37(25)33(40)27-28(20-9-6-5-7-10-20)35(34(41)42,21-12-14-22(43-3)15-13-21)47-23-17-24-30(46-18-45-24)31(44-4)26(23)29(27)38/h5-7,9-10,12-15,17,19,25,27-28H,8,11,16,18H2,1-4H3,(H,36,39)(H,41,42)/t25?,27-,28-,35+/m1/s1
Canonical SMILES:  COc1c2c(cc3c1OCO3)O[C@@]([C@@H]([C@H](C2=O)C(=O)N1CCCC1N=C(C(C)C)O)c1ccccc1)(C(=O)O)c1ccc(cc1)OC
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
NPO32616 aglaia sp. Species Meliaceae Eukaryota PMID[10775404]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea EC50 > 200 ug/ml 21123165
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea EC90 > 200 ug/ml 10.1007/s00044-013-0840-9
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea MIC > 200 ug/ml 17070063

  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 NPC470847 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
0.9755 High Similarity NPC5674
0.8732 High Similarity NPC470846
0.8565 High Similarity NPC475624
0.8433 Intermediate Similarity NPC475565
0.8433 Intermediate Similarity NPC475292
0.8433 Intermediate Similarity NPC475349
0.8349 Intermediate Similarity NPC475442
0.8 Intermediate Similarity NPC293347
0.7991 Intermediate Similarity NPC258128
0.7897 Intermediate Similarity NPC169605
0.7767 Intermediate Similarity NPC235698
0.7742 Intermediate Similarity NPC79130
0.7692 Intermediate Similarity NPC18306
0.7689 Intermediate Similarity NPC470646
0.7549 Intermediate Similarity NPC113093
0.7534 Intermediate Similarity NPC80472
0.75 Intermediate Similarity NPC470642
0.7454 Intermediate Similarity NPC83019
0.7427 Intermediate Similarity NPC76482
0.7407 Intermediate Similarity NPC204580
0.7395 Intermediate Similarity NPC471563
0.7389 Intermediate Similarity NPC131557
0.7385 Intermediate Similarity NPC476661
0.7371 Intermediate Similarity NPC314987
0.7361 Intermediate Similarity NPC308709
0.7352 Intermediate Similarity NPC476662
0.734 Intermediate Similarity NPC104459
0.734 Intermediate Similarity NPC238405
0.734 Intermediate Similarity NPC257914
0.733 Intermediate Similarity NPC187923
0.7321 Intermediate Similarity NPC14390
0.7302 Intermediate Similarity NPC475360
0.7299 Intermediate Similarity NPC156635
0.7299 Intermediate Similarity NPC472380
0.7299 Intermediate Similarity NPC472384
0.7299 Intermediate Similarity NPC472382
0.729 Intermediate Similarity NPC470416
0.7286 Intermediate Similarity NPC477881
0.7285 Intermediate Similarity NPC470450
0.7251 Intermediate Similarity NPC264735
0.7246 Intermediate Similarity NPC88243
0.7246 Intermediate Similarity NPC267153
0.7243 Intermediate Similarity NPC473883
0.7243 Intermediate Similarity NPC36138
0.724 Intermediate Similarity NPC286135
0.724 Intermediate Similarity NPC202771
0.724 Intermediate Similarity NPC2173
0.724 Intermediate Similarity NPC328700
0.724 Intermediate Similarity NPC119818
0.7238 Intermediate Similarity NPC475825
0.7238 Intermediate Similarity NPC476772
0.7238 Intermediate Similarity NPC223375
0.7235 Intermediate Similarity NPC295436
0.7233 Intermediate Similarity NPC469575
0.7225 Intermediate Similarity NPC280493
0.7222 Intermediate Similarity NPC226708
0.7217 Intermediate Similarity NPC472385
0.7217 Intermediate Similarity NPC198324
0.7217 Intermediate Similarity NPC296018
0.7217 Intermediate Similarity NPC233994
0.7217 Intermediate Similarity NPC24258
0.7217 Intermediate Similarity NPC268533
0.7217 Intermediate Similarity NPC211532
0.7217 Intermediate Similarity NPC154741
0.7209 Intermediate Similarity NPC71260
0.7209 Intermediate Similarity NPC470451
0.7209 Intermediate Similarity NPC470455
0.7206 Intermediate Similarity NPC258644
0.7198 Intermediate Similarity NPC284007
0.719 Intermediate Similarity NPC477883
0.7183 Intermediate Similarity NPC472387
0.7183 Intermediate Similarity NPC477882
0.7183 Intermediate Similarity NPC67302
0.7183 Intermediate Similarity NPC477880
0.7183 Intermediate Similarity NPC98546
0.7183 Intermediate Similarity NPC477895
0.7183 Intermediate Similarity NPC476773
0.7183 Intermediate Similarity NPC297807
0.7183 Intermediate Similarity NPC241196
0.7183 Intermediate Similarity NPC29587
0.7182 Intermediate Similarity NPC123859
0.7177 Intermediate Similarity NPC42892
0.717 Intermediate Similarity NPC290304
0.717 Intermediate Similarity NPC477848
0.717 Intermediate Similarity NPC237435
0.717 Intermediate Similarity NPC43211
0.717 Intermediate Similarity NPC236327
0.717 Intermediate Similarity NPC115760
0.717 Intermediate Similarity NPC101191
0.717 Intermediate Similarity NPC135277
0.717 Intermediate Similarity NPC210094
0.717 Intermediate Similarity NPC66804
0.717 Intermediate Similarity NPC49344
0.7169 Intermediate Similarity NPC281629
0.7168 Intermediate Similarity NPC197125
0.7163 Intermediate Similarity NPC470446
0.7163 Intermediate Similarity NPC470449
0.7163 Intermediate Similarity NPC8070
0.7163 Intermediate Similarity NPC35924
0.7163 Intermediate Similarity NPC199172
0.7163 Intermediate Similarity NPC473072
0.7163 Intermediate Similarity NPC471842
0.7163 Intermediate Similarity NPC470445
0.7163 Intermediate Similarity NPC470447
0.7157 Intermediate Similarity NPC303255
0.7157 Intermediate Similarity NPC257277
0.7156 Intermediate Similarity NPC476370
0.7156 Intermediate Similarity NPC475964
0.7156 Intermediate Similarity NPC472386
0.715 Intermediate Similarity NPC236089
0.715 Intermediate Similarity NPC93739
0.715 Intermediate Similarity NPC76687
0.7149 Intermediate Similarity NPC3474
0.7149 Intermediate Similarity NPC242728
0.7143 Intermediate Similarity NPC211309
0.7143 Intermediate Similarity NPC316292
0.7143 Intermediate Similarity NPC319549
0.7143 Intermediate Similarity NPC476771
0.7136 Intermediate Similarity NPC70290
0.7136 Intermediate Similarity NPC156955
0.7136 Intermediate Similarity NPC215098
0.7136 Intermediate Similarity NPC471841
0.7136 Intermediate Similarity NPC73020
0.7136 Intermediate Similarity NPC196771
0.7136 Intermediate Similarity NPC269906
0.7136 Intermediate Similarity NPC14622
0.7136 Intermediate Similarity NPC46744
0.7136 Intermediate Similarity NPC124302
0.713 Intermediate Similarity NPC470720
0.713 Intermediate Similarity NPC106700
0.713 Intermediate Similarity NPC21359
0.713 Intermediate Similarity NPC470713
0.713 Intermediate Similarity NPC25946
0.713 Intermediate Similarity NPC460984
0.713 Intermediate Similarity NPC29531
0.713 Intermediate Similarity NPC470717
0.7123 Intermediate Similarity NPC88560
0.7123 Intermediate Similarity NPC24043
0.7123 Intermediate Similarity NPC42773
0.7123 Intermediate Similarity NPC149962
0.7123 Intermediate Similarity NPC62640
0.7123 Intermediate Similarity NPC476640
0.7123 Intermediate Similarity NPC4390
0.7123 Intermediate Similarity NPC474568
0.7123 Intermediate Similarity NPC169977
0.7123 Intermediate Similarity NPC101026
0.7123 Intermediate Similarity NPC45522
0.7123 Intermediate Similarity NPC82217
0.7123 Intermediate Similarity NPC216842
0.7123 Intermediate Similarity NPC476374
0.7123 Intermediate Similarity NPC21666
0.7123 Intermediate Similarity NPC172033
0.7123 Intermediate Similarity NPC175230
0.7122 Intermediate Similarity NPC474990
0.7119 Intermediate Similarity NPC315914
0.7116 Intermediate Similarity NPC473071
0.7116 Intermediate Similarity NPC469371
0.7116 Intermediate Similarity NPC475996
0.7116 Intermediate Similarity NPC473073
0.7116 Intermediate Similarity NPC47883
0.7116 Intermediate Similarity NPC6709
0.7115 Intermediate Similarity NPC110257
0.7115 Intermediate Similarity NPC470178
0.7109 Intermediate Similarity NPC212748
0.7109 Intermediate Similarity NPC72696
0.7109 Intermediate Similarity NPC476641
0.7109 Intermediate Similarity NPC72249
0.7109 Intermediate Similarity NPC293004
0.7108 Intermediate Similarity NPC122623
0.7108 Intermediate Similarity NPC34725
0.7108 Intermediate Similarity NPC284353
0.7108 Intermediate Similarity NPC276059
0.7108 Intermediate Similarity NPC241774
0.7103 Intermediate Similarity NPC476623
0.7103 Intermediate Similarity NPC217520
0.7103 Intermediate Similarity NPC476619
0.7103 Intermediate Similarity NPC476622
0.7103 Intermediate Similarity NPC476618
0.7103 Intermediate Similarity NPC476620
0.7103 Intermediate Similarity NPC168584
0.7103 Intermediate Similarity NPC35167
0.7103 Intermediate Similarity NPC476621
0.7103 Intermediate Similarity NPC206061
0.7103 Intermediate Similarity NPC139571
0.7101 Intermediate Similarity NPC162668
0.71 Intermediate Similarity NPC82056
0.7097 Intermediate Similarity NPC473554
0.7097 Intermediate Similarity NPC470719
0.7097 Intermediate Similarity NPC104910
0.7097 Intermediate Similarity NPC295625
0.7097 Intermediate Similarity NPC226725
0.7097 Intermediate Similarity NPC474093
0.7095 Intermediate Similarity NPC79322
0.7095 Intermediate Similarity NPC135345
0.7094 Intermediate Similarity NPC134677
0.7094 Intermediate Similarity NPC292460
0.7091 Intermediate Similarity NPC144314
0.7089 Intermediate Similarity NPC108202
0.7089 Intermediate Similarity NPC287243
0.7089 Intermediate Similarity NPC469601

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470847 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
0.7546 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD8469 Approved
0.7264 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.724 Intermediate Similarity NPD5006 Approved
0.724 Intermediate Similarity NPD5005 Approved
0.717 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7296 Approved
0.7136 Intermediate Similarity NPD4420 Approved
0.7115 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3817 Phase 2
0.7076 Intermediate Similarity NPD8059 Phase 3
0.7076 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7061 Intermediate Similarity NPD7801 Approved
0.7018 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7874 Approved
0.7014 Intermediate Similarity NPD3818 Discontinued
0.7009 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD7808 Phase 3
0.7 Intermediate Similarity NPD4413 Clinical (unspecified phase)
0.696 Remote Similarity NPD7584 Approved
0.6938 Remote Similarity NPD7199 Phase 2
0.693 Remote Similarity NPD7701 Phase 2
0.6912 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6908 Remote Similarity NPD3882 Suspended
0.69 Remote Similarity NPD8151 Discontinued
0.6898 Remote Similarity NPD7281 Phase 3
0.6898 Remote Similarity NPD7280 Phase 3
0.6893 Remote Similarity NPD2801 Approved
0.6891 Remote Similarity NPD8491 Approved
0.6887 Remote Similarity NPD7473 Discontinued
0.6884 Remote Similarity NPD7251 Discontinued
0.6883 Remote Similarity NPD7827 Phase 1
0.6878 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7074 Phase 3
0.6864 Remote Similarity NPD7907 Approved
0.6864 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6864 Remote Similarity NPD8366 Approved
0.6854 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7549 Discontinued
0.6847 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6844 Remote Similarity NPD4846 Phase 2
0.6842 Remote Similarity NPD7607 Clinical (unspecified phase)
0.684 Remote Similarity NPD7782 Clinical (unspecified phase)
0.684 Remote Similarity NPD7783 Phase 2
0.684 Remote Similarity NPD6167 Clinical (unspecified phase)
0.684 Remote Similarity NPD6166 Phase 2
0.684 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6797 Phase 2
0.6828 Remote Similarity NPD7435 Discontinued
0.6822 Remote Similarity NPD7054 Approved
0.6816 Remote Similarity NPD7667 Clinical (unspecified phase)
0.681 Remote Similarity NPD5494 Approved
0.6798 Remote Similarity NPD8320 Phase 1
0.6798 Remote Similarity NPD8319 Approved
0.6797 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6791 Remote Similarity NPD7472 Approved
0.6786 Remote Similarity NPD2973 Approved
0.6786 Remote Similarity NPD2975 Approved
0.6786 Remote Similarity NPD2974 Approved
0.677 Remote Similarity NPD4580 Approved
0.677 Remote Similarity NPD5457 Discontinued
0.6766 Remote Similarity NPD8404 Phase 2
0.6757 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6745 Remote Similarity NPD6232 Discontinued
0.6744 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6836 Approved
0.6742 Remote Similarity NPD6377 Clinical (unspecified phase)
0.674 Remote Similarity NPD2493 Approved
0.674 Remote Similarity NPD2494 Approved
0.6739 Remote Similarity NPD7583 Approved
0.6731 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6725 Remote Similarity NPD4582 Approved
0.6725 Remote Similarity NPD4583 Approved
0.6721 Remote Similarity NPD6625 Approved
0.6715 Remote Similarity NPD6386 Approved
0.6715 Remote Similarity NPD6385 Approved
0.6714 Remote Similarity NPD7075 Discontinued
0.6714 Remote Similarity NPD3926 Phase 2
0.6712 Remote Similarity NPD5525 Clinical (unspecified phase)
0.671 Remote Similarity NPD7585 Approved
0.6708 Remote Similarity NPD8067 Phase 3
0.6707 Remote Similarity NPD7048 Phase 3
0.6698 Remote Similarity NPD1247 Approved
0.6683 Remote Similarity NPD1934 Approved
0.6682 Remote Similarity NPD6234 Discontinued
0.6682 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6681 Remote Similarity NPD4004 Approved
0.6681 Remote Similarity NPD4002 Approved
0.6681 Remote Similarity NPD7930 Approved
0.6667 Remote Similarity NPD3452 Approved
0.6667 Remote Similarity NPD4966 Approved
0.6667 Remote Similarity NPD4967 Phase 2
0.6667 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4965 Approved
0.6667 Remote Similarity NPD3450 Approved
0.6667 Remote Similarity NPD4361 Phase 2
0.6653 Remote Similarity NPD7047 Phase 3
0.6652 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6652 Remote Similarity NPD7870 Phase 2
0.6652 Remote Similarity NPD4466 Phase 1
0.6652 Remote Similarity NPD7871 Phase 2
0.6651 Remote Similarity NPD7819 Suspended
0.6639 Remote Similarity NPD4665 Approved
0.6639 Remote Similarity NPD4111 Phase 1
0.6638 Remote Similarity NPD6823 Phase 2
0.6636 Remote Similarity NPD5242 Approved
0.6635 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6625 Remote Similarity NPD6997 Phase 2
0.6623 Remote Similarity NPD6779 Approved
0.6623 Remote Similarity NPD6781 Approved
0.6623 Remote Similarity NPD6780 Approved
0.6623 Remote Similarity NPD6782 Approved
0.6623 Remote Similarity NPD6776 Approved
0.6623 Remote Similarity NPD6778 Approved
0.6623 Remote Similarity NPD6777 Approved
0.662 Remote Similarity NPD7177 Discontinued
0.6619 Remote Similarity NPD5402 Approved
0.6619 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6618 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6618 Remote Similarity NPD6799 Approved
0.6609 Remote Similarity NPD7698 Approved
0.6609 Remote Similarity NPD7697 Approved
0.6609 Remote Similarity NPD7696 Phase 3
0.6602 Remote Similarity NPD8492 Approved
0.6592 Remote Similarity NPD8397 Clinical (unspecified phase)
0.659 Remote Similarity NPD5844 Phase 1
0.6587 Remote Similarity NPD6599 Discontinued
0.6579 Remote Similarity NPD7811 Phase 3
0.6579 Remote Similarity NPD7810 Phase 3
0.6579 Remote Similarity NPD8285 Discontinued
0.6577 Remote Similarity NPD8150 Discontinued
0.6575 Remote Similarity NPD6559 Discontinued
0.6575 Remote Similarity NPD8367 Approved
0.6571 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6565 Remote Similarity NPD6863 Phase 2
0.6562 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6562 Remote Similarity NPD2490 Approved
0.6562 Remote Similarity NPD2488 Approved
0.6561 Remote Similarity NPD8407 Phase 2
0.6558 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6557 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6555 Remote Similarity NPD7411 Suspended
0.6555 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6555 Remote Similarity NPD7110 Phase 1
0.6553 Remote Similarity NPD1512 Approved
0.655 Remote Similarity NPD4107 Approved
0.655 Remote Similarity NPD8461 Discontinued
0.6549 Remote Similarity NPD4363 Phase 3
0.6549 Remote Similarity NPD4360 Phase 2
0.6549 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6544 Remote Similarity NPD7228 Approved
0.654 Remote Similarity NPD5353 Approved
0.6526 Remote Similarity NPD919 Approved
0.6524 Remote Similarity NPD6801 Discontinued
0.6524 Remote Similarity NPD37 Approved
0.6522 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6516 Remote Similarity NPD2971 Approved
0.6516 Remote Similarity NPD2968 Approved
0.6509 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6507 Remote Similarity NPD6876 Approved
0.6507 Remote Similarity NPD6875 Approved
0.6507 Remote Similarity NPD7565 Approved
0.6505 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6505 Remote Similarity NPD3146 Approved
0.6502 Remote Similarity NPD2654 Approved
0.6502 Remote Similarity NPD8434 Phase 2
0.65 Remote Similarity NPD7038 Approved
0.65 Remote Similarity NPD7039 Approved
0.6494 Remote Similarity NPD3057 Approved
0.6493 Remote Similarity NPD7972 Discontinued
0.6491 Remote Similarity NPD7282 Approved
0.6478 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6475 Remote Similarity NPD7224 Discontinued
0.6475 Remote Similarity NPD7223 Discontinued
0.6473 Remote Similarity NPD6842 Approved
0.6473 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6473 Remote Similarity NPD6841 Approved
0.6473 Remote Similarity NPD6843 Phase 3
0.6466 Remote Similarity NPD7497 Discontinued
0.6463 Remote Similarity NPD7700 Phase 2
0.6463 Remote Similarity NPD7699 Phase 2
0.6456 Remote Similarity NPD1511 Approved
0.6452 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6452 Remote Similarity NPD7784 Clinical (unspecified phase)
0.645 Remote Similarity NPD4482 Phase 3
0.6449 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6445 Remote Similarity NPD6844 Discontinued
0.6444 Remote Similarity NPD8435 Approved
0.6444 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6435 Remote Similarity NPD5711 Approved
0.6435 Remote Similarity NPD6808 Phase 2
0.6435 Remote Similarity NPD3787 Discontinued
0.6435 Remote Similarity NPD5710 Approved
0.6435 Remote Similarity NPD7315 Approved
0.6435 Remote Similarity NPD7608 Discontinued
0.6425 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6425 Remote Similarity NPD8368 Discontinued
0.6425 Remote Similarity NPD4378 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   76315894
ChEMBL   CHEMBL2269308
ZINC  

Physicochemical Properties

Molecular Weight:  644.24
ALogP:  -2.5939
MLogP:  3.99
XLogP:  4.938
# Rotatable Bonds:  15
Polar Surface Area:  153.42
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  47

Download Data

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Structure MOL file  
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Biological Activities  
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