Natural Product: NPC88469

Natural Product ID:  NPC88469
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H28O8
Standard InCHIKey:  FZFGOQVFSWJKRY-WPAHRGKHSA-N
Standard InCHI:  InChI=1S/C20H28O8/c1-17(2)10(22)5-11-20(7-27-14(23)13(17)20)12-9(21)4-8-6-19(12,16(25)28-11)15(24)18(8,3)26/h8-14,21-23,26H,4-7H2,1-3H3/t8-,9-,10-,11+,12-,13-,14-,18+,19+,20+/m1/s1
Canonical SMILES:  O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@]14CO[C@H]([C@@H]4C([C@@H](C[C@@H]1OC3=O)O)(C)C)O)C(=O)[C@@]2(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
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota aerial parts Muli County, Sichuan Province, China 2011-AUG PMID[24219809]
NPO20336 Arctotheca calendula Species Asteraceae Eukaryota UNPD*
NPO21614 Urceolaria scruposa Species Trichodinidae Eukaryota UNPD*
NPO20470 Elaeagnus orientalis Species Elaeagnaceae Eukaryota UNPD*
NPO19763 Meloidogyne incognita Species Meloidogynidae Eukaryota UNPD*
NPO1558 Ozothamnus obcordatus Species Asteraceae Eukaryota UNPD*
NPO21482 Crotalaria laburnifolia Species Fabaceae Eukaryota UNPD*
NPO16021 Boletus bovinus Species Boletaceae Eukaryota UNPD*
NPO20543 Psydrax livida Species Rubiaceae Eukaryota UNPD*
NPO21139 Daphniphyllum calycinum Species Daphniphyllaceae Eukaryota UNPD*
NPO16409 Quercus pedunculata Species Fagaceae Eukaryota UNPD*
NPO8991 Carcinus maenas Species Carcinidae Eukaryota UNPD*
NPO17508 Danae racemosa Species Asparagaceae Eukaryota UNPD*
NPO19889 Cereus stellatus Species Sagartiidae Eukaryota UNPD*
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota UNPD*
NPO17240 Crematogaster brevis Species Formicidae Eukaryota UNPD*
NPO20115 Melampodium argophyllum Species Asteraceae Eukaryota UNPD*
NPO19768 Xylosalsola arbuscula Species Chenopodiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT660 Cell Line SW480 Homo sapiens IC50 > 40000 nM 24219809
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 24219809
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 24219809
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 40000 nM 24219809
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 24219809

  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 NPC88469 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
0.9271 High Similarity NPC193785
0.8679 High Similarity NPC473062
0.8646 High Similarity NPC200580
0.8586 High Similarity NPC62407
0.8586 High Similarity NPC287354
0.8544 High Similarity NPC471253
0.8515 High Similarity NPC253995
0.8455 Intermediate Similarity NPC179429
0.8447 Intermediate Similarity NPC470172
0.8447 Intermediate Similarity NPC471254
0.8411 Intermediate Similarity NPC255655
0.8411 Intermediate Similarity NPC124053
0.84 Intermediate Similarity NPC305808
0.8384 Intermediate Similarity NPC476189
0.8365 Intermediate Similarity NPC473406
0.8364 Intermediate Similarity NPC475490
0.8317 Intermediate Similarity NPC116683
0.8317 Intermediate Similarity NPC476728
0.8302 Intermediate Similarity NPC88833
0.8302 Intermediate Similarity NPC61071
0.8302 Intermediate Similarity NPC96333
0.8286 Intermediate Similarity NPC327093
0.8286 Intermediate Similarity NPC470167
0.8273 Intermediate Similarity NPC79193
0.8265 Intermediate Similarity NPC61688
0.8265 Intermediate Similarity NPC477440
0.8265 Intermediate Similarity NPC477443
0.8229 Intermediate Similarity NPC473350
0.8208 Intermediate Similarity NPC285927
0.82 Intermediate Similarity NPC161035
0.819 Intermediate Similarity NPC107385
0.8182 Intermediate Similarity NPC285086
0.8182 Intermediate Similarity NPC97002
0.8182 Intermediate Similarity NPC477442
0.8182 Intermediate Similarity NPC477444
0.8182 Intermediate Similarity NPC477433
0.8173 Intermediate Similarity NPC259654
0.8173 Intermediate Similarity NPC178853
0.8173 Intermediate Similarity NPC298266
0.8165 Intermediate Similarity NPC471251
0.8165 Intermediate Similarity NPC469824
0.8148 Intermediate Similarity NPC227879
0.8148 Intermediate Similarity NPC469983
0.8148 Intermediate Similarity NPC208333
0.8131 Intermediate Similarity NPC203974
0.8119 Intermediate Similarity NPC470424
0.8113 Intermediate Similarity NPC101842
0.8108 Intermediate Similarity NPC470115
0.8108 Intermediate Similarity NPC470116
0.81 Intermediate Similarity NPC474065
0.81 Intermediate Similarity NPC475878
0.8095 Intermediate Similarity NPC213528
0.8095 Intermediate Similarity NPC244969
0.8091 Intermediate Similarity NPC477489
0.8073 Intermediate Similarity NPC49730
0.8073 Intermediate Similarity NPC98069
0.8073 Intermediate Similarity NPC130302
0.8073 Intermediate Similarity NPC98633
0.8058 Intermediate Similarity NPC471241
0.8058 Intermediate Similarity NPC472273
0.8056 Intermediate Similarity NPC232133
0.8041 Intermediate Similarity NPC477205
0.8041 Intermediate Similarity NPC477445
0.8037 Intermediate Similarity NPC103172
0.8037 Intermediate Similarity NPC164600
0.8037 Intermediate Similarity NPC166079
0.8037 Intermediate Similarity NPC215408
0.8037 Intermediate Similarity NPC306776
0.8019 Intermediate Similarity NPC34562
0.7982 Intermediate Similarity NPC471250
0.7982 Intermediate Similarity NPC236753
0.7982 Intermediate Similarity NPC228190
0.7981 Intermediate Similarity NPC476294
0.798 Intermediate Similarity NPC226491
0.798 Intermediate Similarity NPC477614
0.7961 Intermediate Similarity NPC475765
0.7944 Intermediate Similarity NPC100078
0.7938 Intermediate Similarity NPC25802
0.7938 Intermediate Similarity NPC477434
0.7938 Intermediate Similarity NPC51135
0.7938 Intermediate Similarity NPC101138
0.7938 Intermediate Similarity NPC82492
0.789 Intermediate Similarity NPC92890
0.789 Intermediate Similarity NPC475319
0.789 Intermediate Similarity NPC316930
0.789 Intermediate Similarity NPC202898
0.789 Intermediate Similarity NPC469826
0.789 Intermediate Similarity NPC472079
0.7885 Intermediate Similarity NPC74466
0.7864 Intermediate Similarity NPC215570
0.7857 Intermediate Similarity NPC102619
0.7843 Intermediate Similarity NPC472237
0.7843 Intermediate Similarity NPC472238
0.783 Intermediate Similarity NPC477172
0.783 Intermediate Similarity NPC39683
0.7822 Intermediate Similarity NPC476296
0.7822 Intermediate Similarity NPC77756
0.7818 Intermediate Similarity NPC92297
0.7818 Intermediate Similarity NPC94086
0.7818 Intermediate Similarity NPC273002
0.7818 Intermediate Similarity NPC321661
0.7818 Intermediate Similarity NPC320475
0.7818 Intermediate Similarity NPC473817
0.7818 Intermediate Similarity NPC233433
0.7818 Intermediate Similarity NPC220836
0.781 Intermediate Similarity NPC211087
0.78 Intermediate Similarity NPC90676
0.7788 Intermediate Similarity NPC475785
0.7778 Intermediate Similarity NPC47281
0.7778 Intermediate Similarity NPC477441
0.7768 Intermediate Similarity NPC477492
0.7767 Intermediate Similarity NPC309127
0.7767 Intermediate Similarity NPC206878
0.7767 Intermediate Similarity NPC247877
0.7755 Intermediate Similarity NPC471044
0.7755 Intermediate Similarity NPC50438
0.7755 Intermediate Similarity NPC473336
0.7748 Intermediate Similarity NPC470622
0.7745 Intermediate Similarity NPC52756
0.7745 Intermediate Similarity NPC216137
0.7736 Intermediate Similarity NPC20028
0.7736 Intermediate Similarity NPC267921
0.7736 Intermediate Similarity NPC41843
0.7736 Intermediate Similarity NPC108371
0.7731 Intermediate Similarity NPC273962
0.7723 Intermediate Similarity NPC471459
0.7723 Intermediate Similarity NPC67653
0.7714 Intermediate Similarity NPC470632
0.7714 Intermediate Similarity NPC266417
0.7708 Intermediate Similarity NPC1882
0.7706 Intermediate Similarity NPC295366
0.7706 Intermediate Similarity NPC50535
0.7706 Intermediate Similarity NPC28791
0.7699 Intermediate Similarity NPC132668
0.7685 Intermediate Similarity NPC96217
0.7685 Intermediate Similarity NPC139347
0.7679 Intermediate Similarity NPC272242
0.7679 Intermediate Similarity NPC329953
0.767 Intermediate Similarity NPC472231
0.767 Intermediate Similarity NPC472232
0.7664 Intermediate Similarity NPC236585
0.7664 Intermediate Similarity NPC475574
0.7658 Intermediate Similarity NPC469825
0.7653 Intermediate Similarity NPC15091
0.7653 Intermediate Similarity NPC327451
0.7642 Intermediate Similarity NPC472144
0.7636 Intermediate Similarity NPC251824
0.7636 Intermediate Similarity NPC201908
0.7636 Intermediate Similarity NPC176949
0.7636 Intermediate Similarity NPC86852
0.7636 Intermediate Similarity NPC469746
0.7624 Intermediate Similarity NPC221993
0.7624 Intermediate Similarity NPC191221
0.7624 Intermediate Similarity NPC471221
0.7624 Intermediate Similarity NPC236459
0.7615 Intermediate Similarity NPC13149
0.7615 Intermediate Similarity NPC244247
0.7615 Intermediate Similarity NPC473526
0.7615 Intermediate Similarity NPC469827
0.7615 Intermediate Similarity NPC473701
0.7615 Intermediate Similarity NPC202793
0.7611 Intermediate Similarity NPC40608
0.76 Intermediate Similarity NPC476727
0.76 Intermediate Similarity NPC472272
0.76 Intermediate Similarity NPC302111
0.76 Intermediate Similarity NPC83242
0.76 Intermediate Similarity NPC248216
0.76 Intermediate Similarity NPC476726
0.76 Intermediate Similarity NPC120395
0.7596 Intermediate Similarity NPC477495
0.7593 Intermediate Similarity NPC275990
0.7593 Intermediate Similarity NPC80191
0.7593 Intermediate Similarity NPC310031
0.7593 Intermediate Similarity NPC80640
0.7589 Intermediate Similarity NPC42776
0.7589 Intermediate Similarity NPC106760
0.7589 Intermediate Similarity NPC85391
0.7583 Intermediate Similarity NPC104427
0.7583 Intermediate Similarity NPC174367
0.7583 Intermediate Similarity NPC47113
0.7581 Intermediate Similarity NPC475376
0.7576 Intermediate Similarity NPC475689
0.7576 Intermediate Similarity NPC79308
0.757 Intermediate Similarity NPC80417
0.7568 Intermediate Similarity NPC469845
0.7568 Intermediate Similarity NPC469733
0.7568 Intermediate Similarity NPC469729
0.7565 Intermediate Similarity NPC88945
0.7551 Intermediate Similarity NPC13494
0.7549 Intermediate Similarity NPC56962
0.7549 Intermediate Similarity NPC24705
0.7547 Intermediate Similarity NPC472145
0.7547 Intermediate Similarity NPC253586
0.7545 Intermediate Similarity NPC12823
0.7545 Intermediate Similarity NPC37600
0.7544 Intermediate Similarity NPC52634
0.7526 Intermediate Similarity NPC125366
0.7525 Intermediate Similarity NPC470920
0.7525 Intermediate Similarity NPC263802
0.7524 Intermediate Similarity NPC470031

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC88469 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
0.7944 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.783 Intermediate Similarity NPD1700 Approved
0.7521 Intermediate Similarity NPD8293 Discontinued
0.7479 Intermediate Similarity NPD6370 Approved
0.7459 Intermediate Similarity NPD7736 Approved
0.7355 Intermediate Similarity NPD7492 Approved
0.7311 Intermediate Similarity NPD6054 Approved
0.7311 Intermediate Similarity NPD6059 Approved
0.7297 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD6616 Approved
0.7258 Intermediate Similarity NPD7319 Approved
0.7257 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6015 Approved
0.725 Intermediate Similarity NPD6016 Approved
0.7236 Intermediate Similarity NPD7078 Approved
0.7193 Intermediate Similarity NPD6372 Approved
0.7193 Intermediate Similarity NPD6373 Approved
0.719 Intermediate Similarity NPD5988 Approved
0.7188 Intermediate Similarity NPD3702 Approved
0.7167 Intermediate Similarity NPD6319 Approved
0.7155 Intermediate Similarity NPD6882 Approved
0.7143 Intermediate Similarity NPD6115 Approved
0.7143 Intermediate Similarity NPD6118 Approved
0.7143 Intermediate Similarity NPD6114 Approved
0.7143 Intermediate Similarity NPD6697 Approved
0.7105 Intermediate Similarity NPD7320 Approved
0.708 Intermediate Similarity NPD6402 Approved
0.708 Intermediate Similarity NPD6675 Approved
0.708 Intermediate Similarity NPD5739 Approved
0.708 Intermediate Similarity NPD7128 Approved
0.7069 Intermediate Similarity NPD6650 Approved
0.7069 Intermediate Similarity NPD6649 Approved
0.7059 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6116 Phase 1
0.7018 Intermediate Similarity NPD5701 Approved
0.7018 Intermediate Similarity NPD5697 Approved
0.7016 Intermediate Similarity NPD7507 Approved
0.701 Intermediate Similarity NPD3703 Phase 2
0.7009 Intermediate Similarity NPD8171 Discontinued
0.7 Intermediate Similarity NPD6928 Phase 2
0.6957 Remote Similarity NPD6881 Approved
0.6957 Remote Similarity NPD6899 Approved
0.6939 Remote Similarity NPD6117 Approved
0.693 Remote Similarity NPD6008 Approved
0.6917 Remote Similarity NPD6009 Approved
0.6897 Remote Similarity NPD6012 Approved
0.6897 Remote Similarity NPD6013 Approved
0.6897 Remote Similarity NPD6014 Approved
0.6864 Remote Similarity NPD8297 Approved
0.6855 Remote Similarity NPD8328 Phase 3
0.6838 Remote Similarity NPD7290 Approved
0.6838 Remote Similarity NPD6883 Approved
0.6838 Remote Similarity NPD7102 Approved
0.681 Remote Similarity NPD6011 Approved
0.6807 Remote Similarity NPD4632 Approved
0.6807 Remote Similarity NPD8133 Approved
0.678 Remote Similarity NPD6847 Approved
0.678 Remote Similarity NPD6869 Approved
0.678 Remote Similarity NPD6617 Approved
0.678 Remote Similarity NPD8130 Phase 1
0.6772 Remote Similarity NPD6033 Approved
0.6757 Remote Similarity NPD4755 Approved
0.6752 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6735 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6695 Remote Similarity NPD4634 Approved
0.6694 Remote Similarity NPD6921 Approved
0.6639 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4696 Approved
0.6637 Remote Similarity NPD5285 Approved
0.6637 Remote Similarity NPD5286 Approved
0.6637 Remote Similarity NPD4700 Approved
0.6635 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6635 Remote Similarity NPD3669 Approved
0.6634 Remote Similarity NPD4802 Phase 2
0.6634 Remote Similarity NPD4238 Approved
0.6602 Remote Similarity NPD1779 Approved
0.6602 Remote Similarity NPD1780 Approved
0.6585 Remote Similarity NPD7327 Approved
0.6585 Remote Similarity NPD7328 Approved
0.6581 Remote Similarity NPD6412 Phase 2
0.656 Remote Similarity NPD5983 Phase 2
0.656 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6557 Remote Similarity NPD6274 Approved
0.6532 Remote Similarity NPD7516 Approved
0.6531 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6531 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6531 Remote Similarity NPD5777 Approved
0.6522 Remote Similarity NPD5224 Approved
0.6522 Remote Similarity NPD5225 Approved
0.6522 Remote Similarity NPD5226 Approved
0.6522 Remote Similarity NPD4633 Approved
0.6522 Remote Similarity NPD5211 Phase 2
0.6496 Remote Similarity NPD4767 Approved
0.6496 Remote Similarity NPD4768 Approved
0.6495 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6495 Remote Similarity NPD3698 Phase 2
0.6495 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6466 Remote Similarity NPD5175 Approved
0.6466 Remote Similarity NPD5174 Approved
0.646 Remote Similarity NPD6084 Phase 2
0.646 Remote Similarity NPD6083 Phase 2
0.6457 Remote Similarity NPD7604 Phase 2
0.6455 Remote Similarity NPD8035 Phase 2
0.6455 Remote Similarity NPD8034 Phase 2
0.6435 Remote Similarity NPD5223 Approved
0.6429 Remote Similarity NPD8378 Approved
0.6429 Remote Similarity NPD4244 Approved
0.6429 Remote Similarity NPD8296 Approved
0.6429 Remote Similarity NPD8380 Approved
0.6429 Remote Similarity NPD8335 Approved
0.6429 Remote Similarity NPD8379 Approved
0.6429 Remote Similarity NPD4789 Approved
0.6429 Remote Similarity NPD4245 Approved
0.6423 Remote Similarity NPD6940 Discontinued
0.641 Remote Similarity NPD5141 Approved
0.6404 Remote Similarity NPD5696 Approved
0.64 Remote Similarity NPD7101 Approved
0.64 Remote Similarity NPD7100 Approved
0.6387 Remote Similarity NPD4729 Approved
0.6387 Remote Similarity NPD4730 Approved
0.6371 Remote Similarity NPD6317 Approved
0.6357 Remote Similarity NPD6336 Discontinued
0.6349 Remote Similarity NPD8377 Approved
0.6349 Remote Similarity NPD8294 Approved
0.6325 Remote Similarity NPD4754 Approved
0.632 Remote Similarity NPD6335 Approved
0.632 Remote Similarity NPD6313 Approved
0.632 Remote Similarity NPD6314 Approved
0.6299 Remote Similarity NPD6909 Approved
0.6299 Remote Similarity NPD8033 Approved
0.6299 Remote Similarity NPD6908 Approved
0.6283 Remote Similarity NPD5695 Phase 3
0.6281 Remote Similarity NPD5247 Approved
0.6281 Remote Similarity NPD5249 Phase 3
0.6281 Remote Similarity NPD5251 Approved
0.6281 Remote Similarity NPD5250 Approved
0.6281 Remote Similarity NPD5248 Approved
0.625 Remote Similarity NPD5128 Approved
0.625 Remote Similarity NPD6399 Phase 3
0.625 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6228 Remote Similarity NPD4697 Phase 3
0.6224 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6224 Remote Similarity NPD5360 Phase 3
0.6204 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6202 Remote Similarity NPD6067 Discontinued
0.62 Remote Similarity NPD6081 Approved
0.6186 Remote Similarity NPD4224 Phase 2
0.6165 Remote Similarity NPD5956 Approved
0.6148 Remote Similarity NPD5955 Clinical (unspecified phase)
0.614 Remote Similarity NPD6356 Clinical (unspecified phase)
0.614 Remote Similarity NPD7991 Discontinued
0.6126 Remote Similarity NPD4753 Phase 2
0.6121 Remote Similarity NPD7638 Approved
0.6116 Remote Similarity NPD6686 Approved
0.6106 Remote Similarity NPD4202 Approved
0.6102 Remote Similarity NPD8139 Approved
0.6102 Remote Similarity NPD8085 Approved
0.6102 Remote Similarity NPD8082 Approved
0.6102 Remote Similarity NPD8083 Approved
0.6102 Remote Similarity NPD8084 Approved
0.6102 Remote Similarity NPD8138 Approved
0.6102 Remote Similarity NPD8086 Approved
0.6098 Remote Similarity NPD5216 Approved
0.6098 Remote Similarity NPD5217 Approved
0.6098 Remote Similarity NPD5215 Approved
0.6087 Remote Similarity NPD5222 Approved
0.6087 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6087 Remote Similarity NPD5221 Approved
0.6087 Remote Similarity NPD6334 Approved
0.6087 Remote Similarity NPD6333 Approved
0.6068 Remote Similarity NPD7640 Approved
0.6068 Remote Similarity NPD7639 Approved
0.6066 Remote Similarity NPD4061 Clinical (unspecified phase)
0.605 Remote Similarity NPD8276 Approved
0.605 Remote Similarity NPD8275 Approved
0.6047 Remote Similarity NPD8516 Approved
0.6047 Remote Similarity NPD8517 Approved
0.6047 Remote Similarity NPD8515 Approved
0.6047 Remote Similarity NPD8513 Phase 3
0.6047 Remote Similarity NPD7503 Approved
0.604 Remote Similarity NPD4758 Discontinued
0.6034 Remote Similarity NPD5173 Approved
0.6016 Remote Similarity NPD5169 Approved
0.6016 Remote Similarity NPD5135 Approved
0.6016 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6 Remote Similarity NPD5210 Approved
0.6 Remote Similarity NPD3671 Phase 1
0.6 Remote Similarity NPD4629 Approved
0.6 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6 Remote Similarity NPD8081 Approved
0.5984 Remote Similarity NPD7115 Discovery
0.5982 Remote Similarity NPD5328 Approved
0.5968 Remote Similarity NPD5127 Approved
0.5966 Remote Similarity NPD7632 Discontinued
0.595 Remote Similarity NPD8393 Approved
0.5932 Remote Similarity NPD8418 Phase 2
0.5922 Remote Similarity NPD1811 Approved
0.5922 Remote Similarity NPD1810 Approved
0.592 Remote Similarity NPD6053 Discontinued

Structure

External Identifiers

PubChem CID   72947650
ChEMBL   CHEMBL3093771
ZINC  

Physicochemical Properties

Molecular Weight:  396.18
ALogP:  -2.2109
MLogP:  2.78
XLogP:  -0.668
# Rotatable Bonds:  7
Polar Surface Area:  133.52
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  28

Download Data

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Biological Activities  
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