Natural Product: NPC20593

Natural Product ID:  NPC20593
Common Name:   Lonijaposide Q
IUPAC Name:   (2S)-2-[3-[(E)-2-[(2S,3R,4S)-5-carbamoyl-3-ethenyl-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]-5-hydroxy-5-oxopentanoate
Synonyms:  
Molecular Formula:   C26H32N2O12
Standard InCHIKey:  YVWGWUVWWCCHKY-FNBSTERNSA-N
Standard InCHI:  InChI=1S/C26H32N2O12/c1-2-14-15(6-5-13-4-3-9-28(10-13)17(24(36)37)7-8-19(30)31)16(23(27)35)12-38-25(14)40-26-22(34)21(33)20(32)18(11-29)39-26/h2-6,9-10,12,14-15,17-18,20-22,25-26,29,32-34H,1,7-8,11H2,(H3-,27,30,31,35,36,37)/b6-5+/t14-,15+,17+,18-,20-,21+,22-,25+,26+/m1/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-])CCC(=O)O)C(=N)O)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*
NPO3699 Acacia aulacocarpa Species Fabaceae Eukaryota UNPD*
NPO3853 Aspidosperma subincanum Species Apocynaceae Eukaryota UNPD*
NPO4823 Psiadia dentata Species Asteraceae Eukaryota UNPD*
NPO8418 Anemone flaccida Species Ranunculaceae Eukaryota UNPD*
NPO6092 Symphyocladia latiuscula Species Rhodomelaceae Eukaryota UNPD*
NPO5155 Peritassa compta Species Celastraceae Eukaryota UNPD*
NPO6237 Cryptocarya aschersoniana Species Lauraceae Eukaryota UNPD*
NPO5196 Eupatorium argentinum Species Asteraceae Eukaryota UNPD*
NPO471 Ardisia neriifolia Species Primulaceae Eukaryota UNPD*
NPO19948 Neolentinus lepideus Species Gloeophyllaceae Eukaryota UNPD*
NPO6729 Juniperus brevifolia Species Cupressaceae Eukaryota UNPD*
NPO7569 Guatteria boliviana Species Annonaceae Eukaryota UNPD*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition < 30 % 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 NPC20593 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
0.9371 High Similarity NPC182814
0.931 High Similarity NPC318020
0.9266 High Similarity NPC127647
0.9195 High Similarity NPC325093
0.9195 High Similarity NPC322043
0.9121 High Similarity NPC50997
0.9121 High Similarity NPC160127
0.9096 High Similarity NPC328798
0.9096 High Similarity NPC325775
0.8977 High Similarity NPC327373
0.8579 High Similarity NPC25442
0.8579 High Similarity NPC12944
0.849 Intermediate Similarity NPC156044
0.836 Intermediate Similarity NPC59033
0.836 Intermediate Similarity NPC317672
0.8274 Intermediate Similarity NPC111732
0.8229 Intermediate Similarity NPC32451
0.8211 Intermediate Similarity NPC329024
0.8177 Intermediate Similarity NPC79223
0.8135 Intermediate Similarity NPC328559
0.8073 Intermediate Similarity NPC324245
0.8073 Intermediate Similarity NPC320748
0.7541 Intermediate Similarity NPC474217
0.7536 Intermediate Similarity NPC476114
0.7536 Intermediate Similarity NPC475271
0.7512 Intermediate Similarity NPC476115
0.7486 Intermediate Similarity NPC71079
0.7438 Intermediate Similarity NPC309498
0.7418 Intermediate Similarity NPC138018
0.7405 Intermediate Similarity NPC85918
0.7402 Intermediate Similarity NPC474905
0.7381 Intermediate Similarity NPC82070
0.7366 Intermediate Similarity NPC278366
0.7366 Intermediate Similarity NPC127730
0.7321 Intermediate Similarity NPC313640
0.7308 Intermediate Similarity NPC292517
0.7292 Intermediate Similarity NPC317010
0.7264 Intermediate Similarity NPC52254
0.7251 Intermediate Similarity NPC162812
0.7234 Intermediate Similarity NPC319456
0.7219 Intermediate Similarity NPC477975
0.7204 Intermediate Similarity NPC30570
0.7143 Intermediate Similarity NPC474767
0.7136 Intermediate Similarity NPC174788
0.712 Intermediate Similarity NPC477976
0.711 Intermediate Similarity NPC244536
0.7067 Intermediate Similarity NPC316403
0.7056 Intermediate Similarity NPC314270
0.7056 Intermediate Similarity NPC281049
0.7035 Intermediate Similarity NPC75544
0.7028 Intermediate Similarity NPC229348
0.7026 Intermediate Similarity NPC472435
0.701 Intermediate Similarity NPC149708
0.7009 Intermediate Similarity NPC472436
0.7 Intermediate Similarity NPC477548
0.7 Intermediate Similarity NPC472752
0.6986 Remote Similarity NPC475835
0.6971 Remote Similarity NPC322488
0.697 Remote Similarity NPC62510
0.6944 Remote Similarity NPC313804
0.6944 Remote Similarity NPC315804
0.69 Remote Similarity NPC476090
0.6895 Remote Similarity NPC469813
0.6895 Remote Similarity NPC78375
0.6895 Remote Similarity NPC476446
0.6889 Remote Similarity NPC57453
0.6884 Remote Similarity NPC477910
0.6875 Remote Similarity NPC476874
0.6872 Remote Similarity NPC203754
0.6872 Remote Similarity NPC150048
0.6853 Remote Similarity NPC476516
0.683 Remote Similarity NPC89987
0.6829 Remote Similarity NPC292361
0.6822 Remote Similarity NPC476467
0.6822 Remote Similarity NPC472553
0.6821 Remote Similarity NPC469938
0.6818 Remote Similarity NPC64216
0.6798 Remote Similarity NPC114974
0.6789 Remote Similarity NPC472555
0.6787 Remote Similarity NPC475137
0.6787 Remote Similarity NPC475498
0.678 Remote Similarity NPC135950
0.6774 Remote Similarity NPC471014
0.6774 Remote Similarity NPC475408
0.6773 Remote Similarity NPC477911
0.6772 Remote Similarity NPC213914
0.677 Remote Similarity NPC170751
0.6761 Remote Similarity NPC304179
0.6761 Remote Similarity NPC48042
0.6761 Remote Similarity NPC472550
0.676 Remote Similarity NPC29702
0.6759 Remote Similarity NPC153452
0.6757 Remote Similarity NPC473506
0.6757 Remote Similarity NPC477974
0.6753 Remote Similarity NPC472434
0.675 Remote Similarity NPC207851
0.6748 Remote Similarity NPC109922
0.6744 Remote Similarity NPC244856
0.6743 Remote Similarity NPC294579
0.6743 Remote Similarity NPC144779
0.6742 Remote Similarity NPC76565
0.6734 Remote Similarity NPC71037
0.6731 Remote Similarity NPC103361
0.6728 Remote Similarity NPC470306
0.6727 Remote Similarity NPC90019
0.6716 Remote Similarity NPC133591
0.6714 Remote Similarity NPC63041
0.6712 Remote Similarity NPC216428
0.67 Remote Similarity NPC209917
0.6698 Remote Similarity NPC238457
0.6697 Remote Similarity NPC206343
0.6697 Remote Similarity NPC477908
0.6697 Remote Similarity NPC471016
0.6697 Remote Similarity NPC6981
0.6696 Remote Similarity NPC470486
0.6696 Remote Similarity NPC471190
0.6696 Remote Similarity NPC471977
0.6696 Remote Similarity NPC475644
0.6683 Remote Similarity NPC471997
0.6683 Remote Similarity NPC38823
0.6683 Remote Similarity NPC291759
0.6683 Remote Similarity NPC207033
0.6682 Remote Similarity NPC319128
0.6682 Remote Similarity NPC274842
0.6682 Remote Similarity NPC228331
0.6682 Remote Similarity NPC472762
0.6667 Remote Similarity NPC263455
0.6667 Remote Similarity NPC209362
0.6667 Remote Similarity NPC328029
0.6667 Remote Similarity NPC62367
0.6652 Remote Similarity NPC475600
0.6652 Remote Similarity NPC186351
0.6652 Remote Similarity NPC477912
0.6652 Remote Similarity NPC475631
0.6652 Remote Similarity NPC87152
0.6652 Remote Similarity NPC211920
0.6652 Remote Similarity NPC476110
0.6652 Remote Similarity NPC124029
0.6651 Remote Similarity NPC165349
0.6651 Remote Similarity NPC274291
0.6651 Remote Similarity NPC264166
0.6651 Remote Similarity NPC47059
0.6651 Remote Similarity NPC329708
0.6651 Remote Similarity NPC118832
0.6651 Remote Similarity NPC288349
0.6649 Remote Similarity NPC41717
0.6637 Remote Similarity NPC477902
0.6637 Remote Similarity NPC473850
0.6637 Remote Similarity NPC289423
0.6637 Remote Similarity NPC477906
0.6637 Remote Similarity NPC212766
0.6637 Remote Similarity NPC233727
0.6636 Remote Similarity NPC306644
0.6636 Remote Similarity NPC84815
0.6636 Remote Similarity NPC165837
0.6636 Remote Similarity NPC234078
0.6636 Remote Similarity NPC221100
0.6636 Remote Similarity NPC301368
0.6636 Remote Similarity NPC236424
0.6636 Remote Similarity NPC317752
0.6634 Remote Similarity NPC472097
0.6623 Remote Similarity NPC327769
0.6623 Remote Similarity NPC475426
0.6622 Remote Similarity NPC475362
0.6614 Remote Similarity NPC312860
0.661 Remote Similarity NPC473800
0.6609 Remote Similarity NPC476517
0.6608 Remote Similarity NPC30456
0.6607 Remote Similarity NPC148860
0.6603 Remote Similarity NPC102008
0.6601 Remote Similarity NPC235684
0.6595 Remote Similarity NPC471323
0.6592 Remote Similarity NPC471980
0.6592 Remote Similarity NPC250807
0.6592 Remote Similarity NPC57797
0.659 Remote Similarity NPC318299
0.6578 Remote Similarity NPC146824
0.6575 Remote Similarity NPC42678
0.6575 Remote Similarity NPC207531
0.6575 Remote Similarity NPC477907
0.6575 Remote Similarity NPC477909
0.6571 Remote Similarity NPC313421
0.6567 Remote Similarity NPC316224
0.6564 Remote Similarity NPC475596
0.6564 Remote Similarity NPC475303
0.6562 Remote Similarity NPC328154
0.6552 Remote Similarity NPC99891
0.655 Remote Similarity NPC35208
0.6548 Remote Similarity NPC273532
0.6547 Remote Similarity NPC127026
0.6547 Remote Similarity NPC127720
0.6538 Remote Similarity NPC289299
0.6538 Remote Similarity NPC57994
0.6538 Remote Similarity NPC114310
0.6535 Remote Similarity NPC469358
0.6535 Remote Similarity NPC469748
0.653 Remote Similarity NPC264674
0.653 Remote Similarity NPC478157
0.6528 Remote Similarity NPC472070
0.6528 Remote Similarity NPC478158

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC20593 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
0.7585 Intermediate Similarity NPD8325 Phase 3
0.7585 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.7585 Intermediate Similarity NPD8326 Phase 3
0.7327 Intermediate Similarity NPD8372 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD2544 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD6665 Discontinued
0.711 Intermediate Similarity NPD4086 Phase 1
0.709 Intermediate Similarity NPD4174 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD5088 Discontinued
0.7062 Intermediate Similarity NPD8037 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD8036 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7396 Approved
0.7039 Intermediate Similarity NPD4805 Approved
0.7018 Intermediate Similarity NPD8468 Phase 2
0.7011 Intermediate Similarity NPD510 Phase 1
0.7009 Intermediate Similarity NPD8409 Suspended
0.7 Intermediate Similarity NPD6529 Discontinued
0.6995 Remote Similarity NPD5322 Clinical (unspecified phase)
0.6966 Remote Similarity NPD2896 Discontinued
0.695 Remote Similarity NPD7234 Approved
0.695 Remote Similarity NPD7233 Approved
0.6935 Remote Similarity NPD2809 Approved
0.6927 Remote Similarity NPD4804 Approved
0.691 Remote Similarity NPD8370 Discontinued
0.6897 Remote Similarity NPD4529 Approved
0.6897 Remote Similarity NPD4528 Approved
0.6897 Remote Similarity NPD4526 Approved
0.6875 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6872 Remote Similarity NPD203 Clinical (unspecified phase)
0.6863 Remote Similarity NPD4427 Phase 2
0.6842 Remote Similarity NPD4239 Clinical (unspecified phase)
0.6825 Remote Similarity NPD5255 Approved
0.682 Remote Similarity NPD6578 Clinical (unspecified phase)
0.6789 Remote Similarity NPD2511 Approved
0.6784 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6782 Remote Similarity NPD6068 Discontinued
0.6773 Remote Similarity NPD8356 Approved
0.675 Remote Similarity NPD1096 Discontinued
0.6749 Remote Similarity NPD8063 Discontinued
0.6727 Remote Similarity NPD6298 Discontinued
0.6724 Remote Similarity NPD8375 Approved
0.6721 Remote Similarity NPD1427 Clinical (unspecified phase)
0.6719 Remote Similarity NPD6635 Approved
0.6716 Remote Similarity NPD1977 Clinical (unspecified phase)
0.6685 Remote Similarity NPD1380 Discovery
0.6685 Remote Similarity NPD751 Clinical (unspecified phase)
0.6684 Remote Similarity NPD7913 Clinical (unspecified phase)
0.6683 Remote Similarity NPD5897 Approved
0.6683 Remote Similarity NPD5899 Approved
0.6683 Remote Similarity NPD5898 Approved
0.6682 Remote Similarity NPD5149 Phase 2
0.6682 Remote Similarity NPD5148 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4703 Approved
0.6667 Remote Similarity NPD8374 Phase 3
0.6667 Remote Similarity NPD3911 Approved
0.6667 Remote Similarity NPD4081 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8371 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8122 Approved
0.6667 Remote Similarity NPD2091 Phase 2
0.6667 Remote Similarity NPD8123 Approved
0.6667 Remote Similarity NPD7061 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4702 Approved
0.6667 Remote Similarity NPD2096 Phase 2
0.6667 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6652 Remote Similarity NPD8430 Approved
0.6651 Remote Similarity NPD4039 Approved
0.6651 Remote Similarity NPD4906 Approved
0.6651 Remote Similarity NPD32 Approved
0.6651 Remote Similarity NPD4033 Approved
0.6651 Remote Similarity NPD4038 Approved
0.6651 Remote Similarity NPD4037 Approved
0.6651 Remote Similarity NPD4036 Approved
0.6651 Remote Similarity NPD4034 Approved
0.6651 Remote Similarity NPD4035 Approved
0.6651 Remote Similarity NPD31 Approved
0.6651 Remote Similarity NPD4122 Approved
0.6651 Remote Similarity NPD4905 Approved
0.6651 Remote Similarity NPD4903 Approved
0.665 Remote Similarity NPD8020 Approved
0.665 Remote Similarity NPD1783 Clinical (unspecified phase)
0.665 Remote Similarity NPD8408 Discontinued
0.665 Remote Similarity NPD8021 Approved
0.6639 Remote Similarity NPD8373 Clinical (unspecified phase)
0.6633 Remote Similarity NPD8304 Clinical (unspecified phase)
0.663 Remote Similarity NPD3717 Discontinued
0.6623 Remote Similarity NPD8329 Phase 3
0.662 Remote Similarity NPD4904 Approved
0.6617 Remote Similarity NPD2095 Phase 2
0.6617 Remote Similarity NPD2094 Phase 2
0.6617 Remote Similarity NPD2092 Phase 2
0.6615 Remote Similarity NPD5862 Discovery
0.6607 Remote Similarity NPD5640 Discontinued
0.6603 Remote Similarity NPD7778 Approved
0.6603 Remote Similarity NPD7777 Approved
0.6603 Remote Similarity NPD53 Approved
0.6599 Remote Similarity NPD6183 Clinical (unspecified phase)
0.6599 Remote Similarity NPD43 Approved
0.6599 Remote Similarity NPD6182 Approved
0.6589 Remote Similarity NPD7562 Approved
0.6587 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6584 Remote Similarity NPD7483 Phase 2
0.6584 Remote Similarity NPD7482 Phase 2
0.6581 Remote Similarity NPD8291 Clinical (unspecified phase)
0.6576 Remote Similarity NPD1383 Phase 3
0.6576 Remote Similarity NPD1382 Phase 2
0.6573 Remote Similarity NPD7712 Clinical (unspecified phase)
0.6573 Remote Similarity NPD8169 Discontinued
0.6561 Remote Similarity NPD5965 Clinical (unspecified phase)
0.656 Remote Similarity NPD3795 Approved
0.656 Remote Similarity NPD3794 Approved
0.6552 Remote Similarity NPD3082 Discontinued
0.6548 Remote Similarity NPD6739 Clinical (unspecified phase)
0.6542 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6542 Remote Similarity NPD7957 Phase 1
0.6542 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4602 Approved
0.6538 Remote Similarity NPD7944 Discontinued
0.6537 Remote Similarity NPD4021 Phase 2
0.6533 Remote Similarity NPD8289 Discontinued
0.6532 Remote Similarity NPD8479 Phase 2
0.6522 Remote Similarity NPD5317 Clinical (unspecified phase)
0.6515 Remote Similarity NPD750 Phase 2
0.651 Remote Similarity NPD2582 Approved
0.651 Remote Similarity NPD2581 Approved
0.6505 Remote Similarity NPD3813 Approved
0.6505 Remote Similarity NPD3321 Discontinued
0.6502 Remote Similarity NPD6178 Phase 3
0.65 Remote Similarity NPD3394 Approved
0.65 Remote Similarity NPD3393 Approved
0.65 Remote Similarity NPD3389 Approved
0.6498 Remote Similarity NPD8321 Discontinued
0.6493 Remote Similarity NPD6661 Clinical (unspecified phase)
0.648 Remote Similarity NPD5611 Phase 2
0.6465 Remote Similarity NPD485 Clinical (unspecified phase)
0.6462 Remote Similarity NPD4500 Approved
0.6462 Remote Similarity NPD4501 Approved
0.6462 Remote Similarity NPD4396 Clinical (unspecified phase)
0.6458 Remote Similarity NPD6026 Approved
0.6449 Remote Similarity NPD8072 Approved
0.6448 Remote Similarity NPD9506 Approved
0.6447 Remote Similarity NPD6872 Clinical (unspecified phase)
0.6438 Remote Similarity NPD7886 Phase 2
0.6438 Remote Similarity NPD7885 Phase 2
0.6432 Remote Similarity NPD1649 Discontinued
0.6425 Remote Similarity NPD4671 Clinical (unspecified phase)
0.6425 Remote Similarity NPD820 Phase 3
0.6425 Remote Similarity NPD4670 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4669 Clinical (unspecified phase)
0.6422 Remote Similarity NPD3569 Discontinued
0.6418 Remote Similarity NPD6641 Approved
0.6418 Remote Similarity NPD6642 Approved
0.641 Remote Similarity NPD8026 Phase 1
0.6406 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6402 Remote Similarity NPD7561 Approved
0.6402 Remote Similarity NPD6477 Clinical (unspecified phase)
0.6396 Remote Similarity NPD4989 Phase 2
0.6393 Remote Similarity NPD7470 Discontinued
0.6389 Remote Similarity NPD9207 Approved
0.6389 Remote Similarity NPD9206 Approved
0.6387 Remote Similarity NPD6351 Discovery
0.6386 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6385 Remote Similarity NPD6479 Discontinued
0.6384 Remote Similarity NPD3280 Approved
0.6376 Remote Similarity NPD5510 Approved
0.6376 Remote Similarity NPD3968 Approved
0.6372 Remote Similarity NPD5487 Phase 1
0.6372 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4640 Approved
0.6364 Remote Similarity NPD6569 Phase 2
0.6364 Remote Similarity NPD7069 Discontinued
0.6364 Remote Similarity NPD4638 Approved
0.6364 Remote Similarity NPD4639 Approved
0.6359 Remote Similarity NPD3410 Approved
0.6359 Remote Similarity NPD9398 Clinical (unspecified phase)
0.6359 Remote Similarity NPD3411 Phase 2
0.6359 Remote Similarity NPD4375 Approved
0.6356 Remote Similarity NPD5147 Discontinued
0.6355 Remote Similarity NPD7727 Phase 2
0.6354 Remote Similarity NPD180 Clinical (unspecified phase)
0.6349 Remote Similarity NPD7469 Discontinued
0.6347 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6346 Remote Similarity NPD5316 Approved
0.6344 Remote Similarity NPD1395 Clinical (unspecified phase)
0.634 Remote Similarity NPD7576 Discontinued
0.6338 Remote Similarity NPD6248 Phase 2
0.6338 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6338 Remote Similarity NPD6249 Phase 2
0.6333 Remote Similarity NPD6361 Phase 2
0.633 Remote Similarity NPD2509 Approved
0.633 Remote Similarity NPD2510 Approved
0.6326 Remote Similarity NPD8073 Approved
0.6323 Remote Similarity NPD8406 Clinical (unspecified phase)
0.6321 Remote Similarity NPD6206 Phase 1
0.6318 Remote Similarity NPD482 Approved
0.6316 Remote Similarity NPD2336 Approved
0.6316 Remote Similarity NPD4699 Discontinued
0.6314 Remote Similarity NPD8412 Phase 1
0.6313 Remote Similarity NPD9080 Approved
0.6313 Remote Similarity NPD7001 Phase 3
0.6311 Remote Similarity NPD4889 Approved

Structure

External Identifiers

PubChem CID   76328124
ChEMBL   CHEMBL3092664
ZINC  

Physicochemical Properties

Molecular Weight:  564.20
ALogP:  -4.8328
MLogP:  2.78
XLogP:  0.279
# Rotatable Bonds:  19
Polar Surface Area:  234
# H-Bond Aceptor:  13
# H-Bond Donor:  7
# Rings:  3
# Heavy Atoms:  40

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs