Natural Product: NPC239938

Natural Product ID:  NPC239938
Common Name:   n.a.
IUPAC Name:  
Synonyms:   24-Epibrassinolide
Molecular Formula:   C28H48O6
Standard InCHIKey:  IXVMHGVQKLDRKH-QHBHMFGVSA-N
Standard InCHI:  InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16+,17+,18-,19+,20+,21-,22+,23-,24-,25-,27-,28-/m1/s1
Canonical SMILES:  O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@@H](C(C)C)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
NPO7759 Penicillium nalgiovensis Species Aspergillaceae Eukaryota UNPD*
NPO23693 Alseodaphne semecarpifolia Species Lauraceae Eukaryota UNPD*
NPO3111 Daphnandra micrantha Species Atherospermataceae Eukaryota UNPD*
NPO6454 Delphinium tatsienense Species Ranunculaceae Eukaryota UNPD*
NPO16088 Streptomyces scabiei Species Streptomycetaceae Bacteria UNPD*
NPO8197 Scrophularia deserti Species Scrophulariaceae Eukaryota UNPD*
NPO5403 Fagus menziesii Species Fagaceae Eukaryota UNPD*
NPO7604 Viguiera lanceolata Species Asteraceae Eukaryota UNPD*
NPO7904 Ganoderma applanatum Species Ganodermataceae Eukaryota UNPD*
NPO5105 Lagenaria siceraria Species Cucurbitaceae Eukaryota UNPD*
NPO5314 Sargassum parvivesiculosum Species Sargassaceae Eukaryota UNPD*
NPO1533 Corynespora cassiicola Species Corynesporascaceae Eukaryota UNPD*
NPO88 Rheum undulatum Species Polygonaceae Eukaryota UNPD*
NPO5260 Osteospermum thodei Species Asteraceae Eukaryota UNPD*
NPO2553 Adenocarpus commutatus Species Fabaceae Eukaryota UNPD*
NPO4947 Tagetes minuta Species Asteraceae Eukaryota UNPD*
NPO4112 Ficus fistulosa Species Moraceae Eukaryota UNPD*
NPO421 Polygonum maritimum Species Polygonaceae Eukaryota UNPD*
NPO2247 Iphiona scabra Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT355 Organism Phaseolus vulgaris Phaseolus vulgaris Activity = 11.6 mm 19719120
NPT839 Cell Line L6 Rattus norvegicus Activity = 12 % 21491949
NPT839 Cell Line L6 Rattus norvegicus Activity = -7 % 21491949

  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 NPC239938 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
0.8876 High Similarity NPC470424
0.869 High Similarity NPC121121
0.8652 High Similarity NPC52756
0.8506 High Similarity NPC472272
0.8471 Intermediate Similarity NPC102156
0.8471 Intermediate Similarity NPC148740
0.8391 Intermediate Similarity NPC473350
0.8387 Intermediate Similarity NPC471241
0.8352 Intermediate Similarity NPC476189
0.8333 Intermediate Similarity NPC80891
0.8333 Intermediate Similarity NPC201276
0.8333 Intermediate Similarity NPC77756
0.8315 Intermediate Similarity NPC476435
0.8276 Intermediate Similarity NPC473336
0.8276 Intermediate Similarity NPC471044
0.8261 Intermediate Similarity NPC470423
0.8256 Intermediate Similarity NPC311642
0.8256 Intermediate Similarity NPC164289
0.8256 Intermediate Similarity NPC242771
0.8256 Intermediate Similarity NPC100366
0.8229 Intermediate Similarity NPC470172
0.8222 Intermediate Similarity NPC200580
0.8214 Intermediate Similarity NPC80089
0.8214 Intermediate Similarity NPC34046
0.8214 Intermediate Similarity NPC224802
0.8214 Intermediate Similarity NPC185465
0.8214 Intermediate Similarity NPC171426
0.8214 Intermediate Similarity NPC324700
0.8202 Intermediate Similarity NPC470920
0.8191 Intermediate Similarity NPC472273
0.8182 Intermediate Similarity NPC476715
0.8172 Intermediate Similarity NPC17336
0.8172 Intermediate Similarity NPC62407
0.8172 Intermediate Similarity NPC287354
0.8161 Intermediate Similarity NPC15091
0.8144 Intermediate Similarity NPC473406
0.8132 Intermediate Similarity NPC185529
0.8132 Intermediate Similarity NPC472146
0.8118 Intermediate Similarity NPC320144
0.8111 Intermediate Similarity NPC226491
0.8111 Intermediate Similarity NPC477614
0.8095 Intermediate Similarity NPC207010
0.8095 Intermediate Similarity NPC317913
0.809 Intermediate Similarity NPC80700
0.809 Intermediate Similarity NPC472745
0.8085 Intermediate Similarity NPC116683
0.8085 Intermediate Similarity NPC475785
0.8068 Intermediate Similarity NPC473299
0.8068 Intermediate Similarity NPC477434
0.8068 Intermediate Similarity NPC291310
0.8061 Intermediate Similarity NPC100078
0.8046 Intermediate Similarity NPC289486
0.8046 Intermediate Similarity NPC60018
0.8046 Intermediate Similarity NPC154043
0.8046 Intermediate Similarity NPC61107
0.8046 Intermediate Similarity NPC202688
0.8041 Intermediate Similarity NPC471254
0.8023 Intermediate Similarity NPC477851
0.8023 Intermediate Similarity NPC470609
0.8022 Intermediate Similarity NPC471459
0.8022 Intermediate Similarity NPC56962
0.8022 Intermediate Similarity NPC24705
0.8022 Intermediate Similarity NPC67653
0.8 Intermediate Similarity NPC472145
0.8 Intermediate Similarity NPC263802
0.798 Intermediate Similarity NPC166079
0.7978 Intermediate Similarity NPC266651
0.7976 Intermediate Similarity NPC4209
0.7959 Intermediate Similarity NPC209298
0.7959 Intermediate Similarity NPC277074
0.7959 Intermediate Similarity NPC471253
0.7957 Intermediate Similarity NPC161035
0.7952 Intermediate Similarity NPC280026
0.7952 Intermediate Similarity NPC167702
0.7938 Intermediate Similarity NPC252614
0.7935 Intermediate Similarity NPC18536
0.7935 Intermediate Similarity NPC50443
0.7935 Intermediate Similarity NPC470114
0.7931 Intermediate Similarity NPC475743
0.7931 Intermediate Similarity NPC12933
0.7931 Intermediate Similarity NPC58631
0.7917 Intermediate Similarity NPC253995
0.7917 Intermediate Similarity NPC472144
0.7912 Intermediate Similarity NPC471221
0.7912 Intermediate Similarity NPC476379
0.7895 Intermediate Similarity NPC256227
0.7895 Intermediate Similarity NPC29410
0.7895 Intermediate Similarity NPC200054
0.7895 Intermediate Similarity NPC475765
0.7895 Intermediate Similarity NPC235109
0.7895 Intermediate Similarity NPC193785
0.7889 Intermediate Similarity NPC476717
0.7889 Intermediate Similarity NPC302111
0.7889 Intermediate Similarity NPC476726
0.7889 Intermediate Similarity NPC476727
0.7879 Intermediate Similarity NPC301787
0.7872 Intermediate Similarity NPC477495
0.7865 Intermediate Similarity NPC237938
0.7865 Intermediate Similarity NPC219535
0.7857 Intermediate Similarity NPC213528
0.7857 Intermediate Similarity NPC244969
0.7857 Intermediate Similarity NPC212733
0.7849 Intermediate Similarity NPC475878
0.7841 Intermediate Similarity NPC317066
0.7835 Intermediate Similarity NPC470388
0.7826 Intermediate Similarity NPC477443
0.7826 Intermediate Similarity NPC61688
0.7826 Intermediate Similarity NPC477440
0.7816 Intermediate Similarity NPC125366
0.7816 Intermediate Similarity NPC261616
0.7816 Intermediate Similarity NPC134227
0.7802 Intermediate Similarity NPC5943
0.78 Intermediate Similarity NPC222833
0.78 Intermediate Similarity NPC306776
0.7791 Intermediate Similarity NPC476732
0.7791 Intermediate Similarity NPC199965
0.7789 Intermediate Similarity NPC82633
0.7789 Intermediate Similarity NPC98639
0.7778 Intermediate Similarity NPC122811
0.7778 Intermediate Similarity NPC477445
0.7766 Intermediate Similarity NPC291373
0.7765 Intermediate Similarity NPC472486
0.7765 Intermediate Similarity NPC471046
0.7765 Intermediate Similarity NPC472487
0.7765 Intermediate Similarity NPC474020
0.7755 Intermediate Similarity NPC259654
0.7755 Intermediate Similarity NPC298266
0.7753 Intermediate Similarity NPC477285
0.7753 Intermediate Similarity NPC111582
0.7742 Intermediate Similarity NPC477444
0.7742 Intermediate Similarity NPC477442
0.7742 Intermediate Similarity NPC477433
0.7738 Intermediate Similarity NPC472945
0.7738 Intermediate Similarity NPC472944
0.7738 Intermediate Similarity NPC55508
0.7732 Intermediate Similarity NPC211087
0.7732 Intermediate Similarity NPC28864
0.7732 Intermediate Similarity NPC98837
0.7732 Intermediate Similarity NPC162459
0.7732 Intermediate Similarity NPC38471
0.7732 Intermediate Similarity NPC38296
0.7732 Intermediate Similarity NPC20479
0.7732 Intermediate Similarity NPC471038
0.7727 Intermediate Similarity NPC73515
0.7723 Intermediate Similarity NPC203974
0.7723 Intermediate Similarity NPC166993
0.7717 Intermediate Similarity NPC236459
0.7717 Intermediate Similarity NPC3032
0.7717 Intermediate Similarity NPC473319
0.7717 Intermediate Similarity NPC131104
0.7711 Intermediate Similarity NPC469940
0.7708 Intermediate Similarity NPC163685
0.7708 Intermediate Similarity NPC476728
0.7701 Intermediate Similarity NPC476176
0.77 Intermediate Similarity NPC470167
0.7692 Intermediate Similarity NPC248216
0.7692 Intermediate Similarity NPC131365
0.7692 Intermediate Similarity NPC83242
0.7692 Intermediate Similarity NPC92139
0.7692 Intermediate Similarity NPC215968
0.7692 Intermediate Similarity NPC155531
0.7684 Intermediate Similarity NPC277399
0.7674 Intermediate Similarity NPC307865
0.7674 Intermediate Similarity NPC143133
0.7674 Intermediate Similarity NPC477919
0.7674 Intermediate Similarity NPC180199
0.7674 Intermediate Similarity NPC298168
0.7674 Intermediate Similarity NPC143250
0.7667 Intermediate Similarity NPC50438
0.766 Intermediate Similarity NPC474065
0.7653 Intermediate Similarity NPC293866
0.7647 Intermediate Similarity NPC21220
0.7647 Intermediate Similarity NPC186851
0.7647 Intermediate Similarity NPC125767
0.7647 Intermediate Similarity NPC112895
0.7647 Intermediate Similarity NPC218123
0.7647 Intermediate Similarity NPC273155
0.7647 Intermediate Similarity NPC159789
0.7647 Intermediate Similarity NPC231278
0.764 Intermediate Similarity NPC470155
0.764 Intermediate Similarity NPC477286
0.764 Intermediate Similarity NPC30583
0.764 Intermediate Similarity NPC286719
0.764 Intermediate Similarity NPC477447
0.764 Intermediate Similarity NPC268040
0.764 Intermediate Similarity NPC477935
0.764 Intermediate Similarity NPC477446
0.7624 Intermediate Similarity NPC200957
0.7624 Intermediate Similarity NPC138908
0.7614 Intermediate Similarity NPC474714
0.7614 Intermediate Similarity NPC472951
0.7614 Intermediate Similarity NPC472943
0.7614 Intermediate Similarity NPC472853
0.7609 Intermediate Similarity NPC202937
0.7604 Intermediate Similarity NPC305808
0.7604 Intermediate Similarity NPC215570
0.76 Intermediate Similarity NPC34562
0.76 Intermediate Similarity NPC107385
0.759 Intermediate Similarity NPC477929
0.7586 Intermediate Similarity NPC329117

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC239938 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
0.8214 Intermediate Similarity NPD6115 Approved
0.8214 Intermediate Similarity NPD6114 Approved
0.8214 Intermediate Similarity NPD6118 Approved
0.8214 Intermediate Similarity NPD6697 Approved
0.8095 Intermediate Similarity NPD6116 Phase 1
0.7976 Intermediate Similarity NPD6117 Approved
0.7952 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD3703 Phase 2
0.75 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3702 Approved
0.7353 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD8034 Phase 2
0.7292 Intermediate Similarity NPD8035 Phase 2
0.7262 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD1700 Approved
0.7195 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6081 Approved
0.7093 Intermediate Similarity NPD5777 Approved
0.7041 Intermediate Similarity NPD6399 Phase 3
0.7021 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.6977 Remote Similarity NPD4245 Approved
0.6977 Remote Similarity NPD4244 Approved
0.6977 Remote Similarity NPD4789 Approved
0.6941 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6941 Remote Similarity NPD5360 Phase 3
0.6905 Remote Similarity NPD4224 Phase 2
0.686 Remote Similarity NPD3698 Phase 2
0.686 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6928 Phase 2
0.6818 Remote Similarity NPD4632 Approved
0.6792 Remote Similarity NPD5739 Approved
0.6792 Remote Similarity NPD6675 Approved
0.6792 Remote Similarity NPD7128 Approved
0.6792 Remote Similarity NPD6402 Approved
0.6774 Remote Similarity NPD1780 Approved
0.6774 Remote Similarity NPD1779 Approved
0.6759 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6759 Remote Similarity NPD6372 Approved
0.6759 Remote Similarity NPD6373 Approved
0.6699 Remote Similarity NPD7638 Approved
0.6696 Remote Similarity NPD6940 Discontinued
0.6667 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD8133 Approved
0.6636 Remote Similarity NPD6008 Approved
0.6636 Remote Similarity NPD6649 Approved
0.6636 Remote Similarity NPD6650 Approved
0.6635 Remote Similarity NPD8418 Phase 2
0.6635 Remote Similarity NPD7640 Approved
0.6635 Remote Similarity NPD7639 Approved
0.6632 Remote Similarity NPD3669 Approved
0.6632 Remote Similarity NPD3670 Clinical (unspecified phase)
0.663 Remote Similarity NPD3671 Phase 1
0.6609 Remote Similarity NPD6319 Approved
0.6606 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6577 Remote Similarity NPD8297 Approved
0.6574 Remote Similarity NPD5697 Approved
0.6574 Remote Similarity NPD5701 Approved
0.6566 Remote Similarity NPD5328 Approved
0.6545 Remote Similarity NPD6883 Approved
0.6545 Remote Similarity NPD7102 Approved
0.6545 Remote Similarity NPD7290 Approved
0.6535 Remote Similarity NPD8171 Discontinued
0.6517 Remote Similarity NPD4758 Discontinued
0.6514 Remote Similarity NPD6011 Approved
0.6509 Remote Similarity NPD7632 Discontinued
0.6491 Remote Similarity NPD6009 Approved
0.6491 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6486 Remote Similarity NPD8130 Phase 1
0.6486 Remote Similarity NPD6847 Approved
0.6486 Remote Similarity NPD6869 Approved
0.6486 Remote Similarity NPD6617 Approved
0.6486 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7507 Approved
0.6471 Remote Similarity NPD7909 Approved
0.6455 Remote Similarity NPD6013 Approved
0.6455 Remote Similarity NPD6014 Approved
0.6455 Remote Similarity NPD6012 Approved
0.6452 Remote Similarity NPD4802 Phase 2
0.6452 Remote Similarity NPD4238 Approved
0.6452 Remote Similarity NPD5364 Discontinued
0.6441 Remote Similarity NPD7604 Phase 2
0.6436 Remote Similarity NPD6079 Approved
0.6429 Remote Similarity NPD6882 Approved
0.6422 Remote Similarity NPD6412 Phase 2
0.641 Remote Similarity NPD6921 Approved
0.641 Remote Similarity NPD5983 Phase 2
0.6396 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6392 Remote Similarity NPD4786 Approved
0.6387 Remote Similarity NPD7492 Approved
0.6386 Remote Similarity NPD3198 Approved
0.6346 Remote Similarity NPD4697 Phase 3
0.6333 Remote Similarity NPD6616 Approved
0.6333 Remote Similarity NPD6336 Discontinued
0.6325 Remote Similarity NPD6059 Approved
0.6325 Remote Similarity NPD6054 Approved
0.6311 Remote Similarity NPD7319 Approved
0.6286 Remote Similarity NPD6083 Phase 2
0.6286 Remote Similarity NPD6084 Phase 2
0.6286 Remote Similarity NPD4755 Approved
0.6286 Remote Similarity NPD7902 Approved
0.6283 Remote Similarity NPD6053 Discontinued
0.6281 Remote Similarity NPD7078 Approved
0.6281 Remote Similarity NPD8293 Discontinued
0.6263 Remote Similarity NPD3618 Phase 1
0.625 Remote Similarity NPD4634 Approved
0.6239 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6239 Remote Similarity NPD4057 Clinical (unspecified phase)
0.623 Remote Similarity NPD7736 Approved
0.6222 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6222 Remote Similarity NPD4787 Phase 1
0.6218 Remote Similarity NPD6370 Approved
0.6216 Remote Similarity NPD6686 Approved
0.6207 Remote Similarity NPD7115 Discovery
0.619 Remote Similarity NPD5220 Clinical (unspecified phase)
0.619 Remote Similarity NPD5221 Approved
0.619 Remote Similarity NPD5222 Approved
0.6186 Remote Similarity NPD3667 Approved
0.6173 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6168 Remote Similarity NPD5285 Approved
0.6168 Remote Similarity NPD4700 Approved
0.6168 Remote Similarity NPD5286 Approved
0.6168 Remote Similarity NPD4696 Approved
0.6167 Remote Similarity NPD8328 Phase 3
0.6154 Remote Similarity NPD7748 Approved
0.6154 Remote Similarity NPD6335 Approved
0.6139 Remote Similarity NPD5737 Approved
0.6139 Remote Similarity NPD6672 Approved
0.6134 Remote Similarity NPD6015 Approved
0.6134 Remote Similarity NPD6016 Approved
0.6132 Remote Similarity NPD5173 Approved
0.6126 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6122 Remote Similarity NPD4788 Approved
0.6121 Remote Similarity NPD6868 Approved
0.6121 Remote Similarity NPD6274 Approved
0.6117 Remote Similarity NPD7515 Phase 2
0.6111 Remote Similarity NPD5223 Approved
0.6102 Remote Similarity NPD7100 Approved
0.6102 Remote Similarity NPD7101 Approved
0.61 Remote Similarity NPD7146 Approved
0.61 Remote Similarity NPD6409 Approved
0.61 Remote Similarity NPD7334 Approved
0.61 Remote Similarity NPD7521 Approved
0.61 Remote Similarity NPD5330 Approved
0.61 Remote Similarity NPD6684 Approved
0.6092 Remote Similarity NPD371 Approved
0.6083 Remote Similarity NPD5988 Approved
0.6075 Remote Similarity NPD5696 Approved
0.6068 Remote Similarity NPD6317 Approved
0.6058 Remote Similarity NPD4202 Approved
0.6055 Remote Similarity NPD4633 Approved
0.6055 Remote Similarity NPD5211 Phase 2
0.6055 Remote Similarity NPD5225 Approved
0.6055 Remote Similarity NPD5226 Approved
0.6055 Remote Similarity NPD5224 Approved
0.6022 Remote Similarity NPD1811 Approved
0.6022 Remote Similarity NPD1810 Approved
0.602 Remote Similarity NPD6435 Approved
0.6017 Remote Similarity NPD6313 Approved
0.6017 Remote Similarity NPD6314 Approved
0.6 Remote Similarity NPD6908 Approved
0.6 Remote Similarity NPD7900 Approved
0.6 Remote Similarity NPD6909 Approved
0.6 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD5174 Approved
0.6 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6 Remote Similarity NPD5175 Approved
0.598 Remote Similarity NPD6903 Approved
0.598 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5979 Remote Similarity NPD7525 Registered
0.5968 Remote Similarity NPD6033 Approved
0.5966 Remote Similarity NPD7516 Approved
0.5962 Remote Similarity NPD6411 Approved
0.5962 Remote Similarity NPD7637 Suspended
0.5948 Remote Similarity NPD8298 Phase 2
0.5946 Remote Similarity NPD5141 Approved
0.5943 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5943 Remote Similarity NPD5695 Phase 3
0.5943 Remote Similarity NPD7991 Discontinued
0.5926 Remote Similarity NPD4225 Approved
0.5905 Remote Similarity NPD5778 Approved
0.5905 Remote Similarity NPD5779 Approved
0.59 Remote Similarity NPD3133 Approved
0.59 Remote Similarity NPD3666 Approved
0.59 Remote Similarity NPD3665 Phase 1
0.5893 Remote Similarity NPD4768 Approved
0.5893 Remote Similarity NPD4767 Approved
0.5893 Remote Similarity NPD6920 Discontinued
0.5882 Remote Similarity NPD7524 Approved
0.5882 Remote Similarity NPD7327 Approved
0.5882 Remote Similarity NPD7328 Approved
0.5824 Remote Similarity NPD229 Approved
0.5816 Remote Similarity NPD5368 Approved
0.581 Remote Similarity NPD5281 Approved
0.581 Remote Similarity NPD5284 Approved

Structure

External Identifiers

PubChem CID   443055
ChEMBL   CHEMBL563853
ZINC  

Physicochemical Properties

Molecular Weight:  480.35
ALogP:  -0.1447
MLogP:  3.88
XLogP:  5.459
# Rotatable Bonds:  15
Polar Surface Area:  107.22
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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