Natural Product: NPC127647

Natural Product ID:  NPC127647
Common Name:   Lonijaposide P
IUPAC Name:   (2S)-2-[3-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]pyridin-1-ium-1-yl]propanoate
Synonyms:  
Molecular Formula:   C25H31NO11
Standard InCHIKey:  FWQZWKQALMIFIJ-ULVSZBDPSA-N
Standard InCHI:  InChI=1S/C25H31NO11/c1-4-15-16(8-7-14-6-5-9-26(10-14)13(2)22(31)32)17(23(33)34-3)12-35-24(15)37-25-21(30)20(29)19(28)18(11-27)36-25/h4-10,12-13,15-16,18-21,24-25,27-30H,1,11H2,2-3H3/b8-7+/t13-,15+,16-,18+,19+,20-,21+,24-,25-/m0/s1
Canonical SMILES:  C=C[C@H]1[C@@H](OC=C([C@H]1/C=C/c1ccc[n+](c1)[C@H](C(=O)[O-])C)C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)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
NPO3597 Rheedia acuminata Species Clusiaceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 72.3 % 24279769

  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 NPC127647 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
0.9882 High Similarity NPC182814
0.9706 High Similarity NPC328798
0.9704 High Similarity NPC318020
0.9586 High Similarity NPC325093
0.9477 High Similarity NPC325775
0.9357 High Similarity NPC327373
0.9357 High Similarity NPC322043
0.9274 High Similarity NPC160127
0.9274 High Similarity NPC50997
0.9266 High Similarity NPC20593
0.8925 High Similarity NPC156044
0.8817 High Similarity NPC12944
0.8817 High Similarity NPC25442
0.8804 High Similarity NPC79223
0.8696 High Similarity NPC320748
0.8696 High Similarity NPC324245
0.8595 High Similarity NPC59033
0.8556 High Similarity NPC32451
0.8541 High Similarity NPC329024
0.8457 Intermediate Similarity NPC328559
0.8402 Intermediate Similarity NPC111732
0.8396 Intermediate Similarity NPC317672
0.7817 Intermediate Similarity NPC309498
0.7729 Intermediate Similarity NPC475271
0.76 Intermediate Similarity NPC474905
0.7586 Intermediate Similarity NPC292517
0.7573 Intermediate Similarity NPC82070
0.7524 Intermediate Similarity NPC162812
0.7476 Intermediate Similarity NPC30570
0.7473 Intermediate Similarity NPC474217
0.7452 Intermediate Similarity NPC52254
0.745 Intermediate Similarity NPC476115
0.7438 Intermediate Similarity NPC472752
0.7418 Intermediate Similarity NPC71079
0.7407 Intermediate Similarity NPC317010
0.7391 Intermediate Similarity NPC476114
0.734 Intermediate Similarity NPC475835
0.7337 Intermediate Similarity NPC85918
0.7337 Intermediate Similarity NPC477975
0.7308 Intermediate Similarity NPC477910
0.7297 Intermediate Similarity NPC476090
0.7297 Intermediate Similarity NPC127730
0.7297 Intermediate Similarity NPC278366
0.7269 Intermediate Similarity NPC472435
0.7246 Intermediate Similarity NPC472553
0.7246 Intermediate Similarity NPC476467
0.722 Intermediate Similarity NPC63041
0.719 Intermediate Similarity NPC475408
0.719 Intermediate Similarity NPC471014
0.7184 Intermediate Similarity NPC48042
0.7184 Intermediate Similarity NPC304179
0.7184 Intermediate Similarity NPC472550
0.7177 Intermediate Similarity NPC313640
0.7174 Intermediate Similarity NPC472436
0.7156 Intermediate Similarity NPC294579
0.7156 Intermediate Similarity NPC174788
0.7156 Intermediate Similarity NPC144779
0.7143 Intermediate Similarity NPC470306
0.7123 Intermediate Similarity NPC472555
0.7122 Intermediate Similarity NPC238457
0.7109 Intermediate Similarity NPC471016
0.7109 Intermediate Similarity NPC6981
0.7103 Intermediate Similarity NPC477911
0.7101 Intermediate Similarity NPC477548
0.71 Intermediate Similarity NPC109922
0.7095 Intermediate Similarity NPC319128
0.7095 Intermediate Similarity NPC228331
0.7077 Intermediate Similarity NPC62510
0.7075 Intermediate Similarity NPC314270
0.7075 Intermediate Similarity NPC62367
0.7065 Intermediate Similarity NPC138018
0.7059 Intermediate Similarity NPC57453
0.7056 Intermediate Similarity NPC477912
0.7053 Intermediate Similarity NPC477976
0.7051 Intermediate Similarity NPC124029
0.7051 Intermediate Similarity NPC211920
0.7042 Intermediate Similarity NPC216428
0.7042 Intermediate Similarity NPC301368
0.7042 Intermediate Similarity NPC84815
0.7037 Intermediate Similarity NPC477902
0.7037 Intermediate Similarity NPC233727
0.7037 Intermediate Similarity NPC473850
0.7037 Intermediate Similarity NPC475137
0.7037 Intermediate Similarity NPC475498
0.703 Intermediate Similarity NPC149708
0.7028 Intermediate Similarity NPC477908
0.7028 Intermediate Similarity NPC206343
0.7014 Intermediate Similarity NPC153452
0.7005 Intermediate Similarity NPC148860
0.7005 Intermediate Similarity NPC473506
0.6995 Remote Similarity NPC474767
0.6991 Remote Similarity NPC471980
0.6991 Remote Similarity NPC76565
0.6991 Remote Similarity NPC250807
0.6991 Remote Similarity NPC57797
0.6991 Remote Similarity NPC472434
0.6981 Remote Similarity NPC477907
0.6981 Remote Similarity NPC42678
0.6981 Remote Similarity NPC477909
0.697 Remote Similarity NPC75544
0.6967 Remote Similarity NPC165837
0.6965 Remote Similarity NPC135950
0.6959 Remote Similarity NPC328154
0.6957 Remote Similarity NPC263455
0.6955 Remote Similarity NPC477906
0.6944 Remote Similarity NPC127026
0.6944 Remote Similarity NPC127720
0.6941 Remote Similarity NPC475362
0.6941 Remote Similarity NPC475644
0.6941 Remote Similarity NPC470486
0.6941 Remote Similarity NPC471977
0.6941 Remote Similarity NPC471190
0.6939 Remote Similarity NPC207851
0.6937 Remote Similarity NPC170751
0.6934 Remote Similarity NPC264674
0.6931 Remote Similarity NPC41717
0.6923 Remote Similarity NPC316403
0.6919 Remote Similarity NPC323551
0.6919 Remote Similarity NPC280473
0.6919 Remote Similarity NPC244856
0.6912 Remote Similarity NPC103361
0.6912 Remote Similarity NPC123395
0.6911 Remote Similarity NPC249614
0.6902 Remote Similarity NPC312860
0.6901 Remote Similarity NPC207531
0.69 Remote Similarity NPC114974
0.6898 Remote Similarity NPC90019
0.6897 Remote Similarity NPC322488
0.6895 Remote Similarity NPC476110
0.6895 Remote Similarity NPC146824
0.6895 Remote Similarity NPC475631
0.6895 Remote Similarity NPC328186
0.6895 Remote Similarity NPC87152
0.6895 Remote Similarity NPC122968
0.6895 Remote Similarity NPC475601
0.6895 Remote Similarity NPC228377
0.6895 Remote Similarity NPC475600
0.6895 Remote Similarity NPC244536
0.6895 Remote Similarity NPC319456
0.6895 Remote Similarity NPC477787
0.6887 Remote Similarity NPC221100
0.6887 Remote Similarity NPC51008
0.6887 Remote Similarity NPC234078
0.6887 Remote Similarity NPC306644
0.6887 Remote Similarity NPC41724
0.6887 Remote Similarity NPC236424
0.6878 Remote Similarity NPC150698
0.6878 Remote Similarity NPC96801
0.6872 Remote Similarity NPC471997
0.6872 Remote Similarity NPC40919
0.6872 Remote Similarity NPC470189
0.687 Remote Similarity NPC476516
0.6868 Remote Similarity NPC477974
0.6858 Remote Similarity NPC99891
0.6854 Remote Similarity NPC274842
0.6854 Remote Similarity NPC4421
0.6847 Remote Similarity NPC30456
0.6847 Remote Similarity NPC469748
0.6839 Remote Similarity NPC469938
0.6837 Remote Similarity NPC319556
0.6837 Remote Similarity NPC281049
0.6832 Remote Similarity NPC103230
0.6827 Remote Similarity NPC289086
0.6822 Remote Similarity NPC62844
0.6822 Remote Similarity NPC193361
0.6816 Remote Similarity NPC237702
0.6811 Remote Similarity NPC107287
0.681 Remote Similarity NPC470190
0.6806 Remote Similarity NPC315804
0.6806 Remote Similarity NPC313804
0.6804 Remote Similarity NPC212766
0.6804 Remote Similarity NPC289423
0.6802 Remote Similarity NPC475303
0.6802 Remote Similarity NPC475596
0.6802 Remote Similarity NPC473689
0.6802 Remote Similarity NPC316841
0.6802 Remote Similarity NPC292416
0.68 Remote Similarity NPC209917
0.6796 Remote Similarity NPC471323
0.6786 Remote Similarity NPC475426
0.6786 Remote Similarity NPC35208
0.6786 Remote Similarity NPC327769
0.6774 Remote Similarity NPC54066
0.6774 Remote Similarity NPC209362
0.6773 Remote Similarity NPC472762
0.6771 Remote Similarity NPC244839
0.6771 Remote Similarity NPC319880
0.6771 Remote Similarity NPC320324
0.6759 Remote Similarity NPC158020
0.6759 Remote Similarity NPC75600
0.6759 Remote Similarity NPC187494
0.6759 Remote Similarity NPC6576
0.6759 Remote Similarity NPC473089
0.6759 Remote Similarity NPC212768
0.6759 Remote Similarity NPC473115
0.6746 Remote Similarity NPC329708
0.6746 Remote Similarity NPC264166
0.6746 Remote Similarity NPC274291
0.6746 Remote Similarity NPC118832
0.6746 Remote Similarity NPC165349

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC127647 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
0.7783 Intermediate Similarity NPD8325 Phase 3
0.7783 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.7783 Intermediate Similarity NPD8326 Phase 3
0.7413 Intermediate Similarity NPD7396 Approved
0.7377 Intermediate Similarity NPD5088 Discontinued
0.7204 Intermediate Similarity NPD4174 Clinical (unspecified phase)
0.7189 Intermediate Similarity NPD8372 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD8468 Phase 2
0.7182 Intermediate Similarity NPD8409 Suspended
0.7086 Intermediate Similarity NPD2896 Discontinued
0.7083 Intermediate Similarity NPD8036 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8304 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8037 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD1977 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD4805 Approved
0.702 Intermediate Similarity NPD2544 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6529 Discontinued
0.6977 Remote Similarity NPD6298 Discontinued
0.6973 Remote Similarity NPD820 Phase 3
0.697 Remote Similarity NPD7234 Approved
0.697 Remote Similarity NPD7233 Approved
0.6957 Remote Similarity NPD2809 Approved
0.6949 Remote Similarity NPD4804 Approved
0.6935 Remote Similarity NPD8063 Discontinued
0.6931 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6915 Remote Similarity NPD4528 Approved
0.6915 Remote Similarity NPD4526 Approved
0.6915 Remote Similarity NPD4529 Approved
0.6911 Remote Similarity NPD485 Clinical (unspecified phase)
0.6911 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6898 Remote Similarity NPD2511 Approved
0.6895 Remote Similarity NPD4086 Phase 1
0.6893 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6881 Remote Similarity NPD4427 Phase 2
0.6862 Remote Similarity NPD4239 Clinical (unspecified phase)
0.6852 Remote Similarity NPD8479 Phase 2
0.685 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6849 Remote Similarity NPD5640 Discontinued
0.6845 Remote Similarity NPD3911 Approved
0.6825 Remote Similarity NPD6635 Approved
0.6796 Remote Similarity NPD751 Clinical (unspecified phase)
0.6791 Remote Similarity NPD2582 Approved
0.6791 Remote Similarity NPD2581 Approved
0.6786 Remote Similarity NPD5898 Approved
0.6786 Remote Similarity NPD5899 Approved
0.6786 Remote Similarity NPD5897 Approved
0.6781 Remote Similarity NPD8370 Discontinued
0.6776 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6776 Remote Similarity NPD5149 Phase 2
0.6755 Remote Similarity NPD5255 Approved
0.6753 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6746 Remote Similarity NPD4038 Approved
0.6746 Remote Similarity NPD4036 Approved
0.6746 Remote Similarity NPD4037 Approved
0.6746 Remote Similarity NPD4122 Approved
0.6746 Remote Similarity NPD4035 Approved
0.6746 Remote Similarity NPD4034 Approved
0.6746 Remote Similarity NPD32 Approved
0.6746 Remote Similarity NPD31 Approved
0.6746 Remote Similarity NPD4039 Approved
0.6746 Remote Similarity NPD4033 Approved
0.674 Remote Similarity NPD7886 Phase 2
0.674 Remote Similarity NPD7885 Phase 2
0.6739 Remote Similarity NPD8375 Approved
0.6729 Remote Similarity NPD3795 Approved
0.6729 Remote Similarity NPD3794 Approved
0.6715 Remote Similarity NPD4501 Approved
0.6715 Remote Similarity NPD4500 Approved
0.6704 Remote Similarity NPD1380 Discovery
0.6703 Remote Similarity NPD7913 Clinical (unspecified phase)
0.67 Remote Similarity NPD6665 Discontinued
0.6684 Remote Similarity NPD8122 Approved
0.6684 Remote Similarity NPD8123 Approved
0.6683 Remote Similarity NPD1096 Discontinued
0.6682 Remote Similarity NPD7562 Approved
0.6682 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6681 Remote Similarity NPD8371 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5965 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8021 Approved
0.6667 Remote Similarity NPD510 Phase 1
0.6667 Remote Similarity NPD8020 Approved
0.6667 Remote Similarity NPD8408 Discontinued
0.6653 Remote Similarity NPD8373 Clinical (unspecified phase)
0.665 Remote Similarity NPD5075 Discontinued
0.665 Remote Similarity NPD4889 Approved
0.6649 Remote Similarity NPD6026 Approved
0.6636 Remote Similarity NPD4989 Phase 2
0.6636 Remote Similarity NPD8356 Approved
0.6633 Remote Similarity NPD5104 Approved
0.6632 Remote Similarity NPD5862 Discovery
0.6622 Remote Similarity NPD8289 Discontinued
0.6615 Remote Similarity NPD6182 Approved
0.6615 Remote Similarity NPD2915 Discontinued
0.6615 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6615 Remote Similarity NPD43 Approved
0.6611 Remote Similarity NPD203 Clinical (unspecified phase)
0.6605 Remote Similarity NPD7069 Discontinued
0.6601 Remote Similarity NPD3321 Discontinued
0.6599 Remote Similarity NPD6642 Approved
0.6599 Remote Similarity NPD6641 Approved
0.6595 Remote Similarity NPD9271 Approved
0.6595 Remote Similarity NPD8291 Clinical (unspecified phase)
0.6593 Remote Similarity NPD1383 Phase 3
0.6593 Remote Similarity NPD1382 Phase 2
0.6589 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6583 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6477 Clinical (unspecified phase)
0.657 Remote Similarity NPD6206 Phase 1
0.6557 Remote Similarity NPD1427 Clinical (unspecified phase)
0.6555 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6479 Discontinued
0.6553 Remote Similarity NPD7944 Discontinued
0.6553 Remote Similarity NPD4602 Approved
0.6552 Remote Similarity NPD6068 Discontinued
0.6552 Remote Similarity NPD4334 Discontinued
0.655 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6546 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6545 Remote Similarity NPD3280 Approved
0.6543 Remote Similarity NPD180 Clinical (unspecified phase)
0.6537 Remote Similarity NPD6569 Phase 2
0.6535 Remote Similarity NPD4375 Approved
0.6533 Remote Similarity NPD8374 Phase 3
0.6524 Remote Similarity NPD7903 Clinical (unspecified phase)
0.652 Remote Similarity NPD6281 Approved
0.6518 Remote Similarity NPD8430 Approved
0.6517 Remote Similarity NPD2417 Approved
0.6517 Remote Similarity NPD7482 Phase 2
0.6517 Remote Similarity NPD2416 Approved
0.6517 Remote Similarity NPD1627 Clinical (unspecified phase)
0.6517 Remote Similarity NPD7483 Phase 2
0.6514 Remote Similarity NPD3393 Approved
0.6514 Remote Similarity NPD3389 Approved
0.6514 Remote Similarity NPD3394 Approved
0.6507 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6505 Remote Similarity NPD4703 Approved
0.6505 Remote Similarity NPD6361 Phase 2
0.6505 Remote Similarity NPD4702 Approved
0.65 Remote Similarity NPD3386 Phase 2
0.6491 Remote Similarity NPD8329 Phase 3
0.6488 Remote Similarity NPD3785 Clinical (unspecified phase)
0.6488 Remote Similarity NPD2336 Approved
0.6486 Remote Similarity NPD9074 Approved
0.6486 Remote Similarity NPD9075 Approved
0.6471 Remote Similarity NPD4021 Phase 2
0.6462 Remote Similarity NPD4638 Approved
0.6462 Remote Similarity NPD4639 Approved
0.6462 Remote Similarity NPD5487 Phase 1
0.6462 Remote Similarity NPD4640 Approved
0.6459 Remote Similarity NPD7778 Approved
0.6459 Remote Similarity NPD7777 Approved
0.6459 Remote Similarity NPD53 Approved
0.6456 Remote Similarity NPD5317 Clinical (unspecified phase)
0.6456 Remote Similarity NPD4376 Phase 3
0.6453 Remote Similarity NPD3039 Clinical (unspecified phase)
0.6448 Remote Similarity NPD1649 Discontinued
0.6447 Remote Similarity NPD2077 Approved
0.6447 Remote Similarity NPD750 Phase 2
0.6447 Remote Similarity NPD2076 Approved
0.6442 Remote Similarity NPD7818 Clinical (unspecified phase)
0.644 Remote Similarity NPD4669 Clinical (unspecified phase)
0.644 Remote Similarity NPD4670 Clinical (unspecified phase)
0.644 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6436 Remote Similarity NPD3569 Discontinued
0.6432 Remote Similarity NPD4906 Approved
0.6432 Remote Similarity NPD3813 Approved
0.6432 Remote Similarity NPD4905 Approved
0.6432 Remote Similarity NPD2831 Approved
0.6432 Remote Similarity NPD4903 Approved
0.6432 Remote Similarity NPD5751 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6249 Phase 2
0.6429 Remote Similarity NPD6248 Phase 2
0.6422 Remote Similarity NPD6257 Clinical (unspecified phase)
0.6419 Remote Similarity NPD2509 Approved
0.6419 Remote Similarity NPD7467 Discontinued
0.6419 Remote Similarity NPD2510 Approved
0.641 Remote Similarity NPD5611 Phase 2
0.641 Remote Similarity NPD7967 Discontinued
0.6406 Remote Similarity NPD7470 Discontinued
0.6404 Remote Similarity NPD3082 Discontinued
0.6404 Remote Similarity NPD9206 Approved
0.6404 Remote Similarity NPD9207 Approved
0.6402 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6402 Remote Similarity NPD7957 Phase 1
0.6402 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6402 Remote Similarity NPD4904 Approved
0.64 Remote Similarity NPD1620 Clinical (unspecified phase)
0.64 Remote Similarity NPD7426 Phase 1
0.6386 Remote Similarity NPD2092 Phase 2
0.6386 Remote Similarity NPD2094 Phase 2
0.6386 Remote Similarity NPD2095 Phase 2
0.6385 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6261 Phase 3
0.6378 Remote Similarity NPD3717 Discontinued
0.6377 Remote Similarity NPD4315 Phase 2
0.6374 Remote Similarity NPD9506 Approved
0.6368 Remote Similarity NPD7727 Phase 2
0.6364 Remote Similarity NPD2307 Discontinued
0.6364 Remote Similarity NPD6148 Clinical (unspecified phase)
0.6359 Remote Similarity NPD6262 Clinical (unspecified phase)
0.6359 Remote Similarity NPD5072 Discontinued

Structure

External Identifiers

PubChem CID   76335389
ChEMBL   CHEMBL3092663
ZINC  

Physicochemical Properties

Molecular Weight:  521.19
ALogP:  -4.1957
MLogP:  2.89
XLogP:  0.719
# Rotatable Bonds:  17
Polar Surface Area:  178.92
# H-Bond Aceptor:  11
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  37

Download Data

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Structure MOL file  
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Biological Activities  
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