Natural Product: NPC27335

Natural Product ID:  NPC27335
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C31H34O7
Standard InCHIKey:  GTBLNKUNAKLOPZ-FTBTWKQCSA-N
Standard InCHI:  InChI=1S/C31H34O7/c1-11-14-7-17(14)27(4)15(11)8-16-12(2)24(32)37-30(16)20(27)10-29(35)19-9-18(19)28(5)23(29)22(30)21-13(3)25(33)38-31(21,36-6)26(28)34/h14-15,17-20,26,34-35H,1,7-10H2,2-6H3/t14-,15+,17-,18-,19+,20+,26-,27-,28+,29+,30+,31+/m1/s1
Canonical SMILES:  CO[C@]12OC(=O)C(=C1C1=C3[C@]([C@H]2O)(C)[C@@H]2C[C@@H]2[C@@]3(O)C[C@@H]2[C@@]31OC(=O)C(=C3C[C@@H]1[C@]2(C)[C@@H]2C[C@@H]2C1=C)C)C
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
NPO3385 Cassine transvaalensis Species Celastraceae Eukaryota UNPD*
NPO6256 Eucalyptus umbra Species Myrtaceae Eukaryota UNPD*
NPO9928 Cephalaria cilicica Species Caprifoliaceae Eukaryota UNPD*
NPO5013 Loranthus spicatus Species Loranthaceae Eukaryota UNPD*
NPO9307 Ficus indica Species Ficidae Eukaryota UNPD*
NPO9040 Elsinoe annonae Species Elsinoaceae Eukaryota UNPD*
NPO12891 Minasia alpestris Species Asteraceae Eukaryota UNPD*
NPO12192 Coronilla scorpioides Species Fabaceae Eukaryota UNPD*
NPO468 Dryopteris oligophlebia Species Dryopteridaceae Eukaryota UNPD*
NPO17386 Securidaca longepedunculata Species Polygalaceae Eukaryota UNPD*
NPO11815 Mikania hirsutissima Species Asteraceae Eukaryota UNPD*
NPO16164 Podocarpus urbani Species Podocarpaceae Eukaryota UNPD*
NPO6674 Burkholderia ambifaria Species Burkholderiaceae Bacteria UNPD*
NPO10738 Cotoneaster horizontalis Species Rosaceae Eukaryota UNPD*
NPO19898 Stevia lucida Species Asteraceae Eukaryota UNPD*
NPO7048 Eucalyptus rariflora Species Myrtaceae Eukaryota UNPD*
NPO10399 Manfreda virginica Species Asparagaceae Eukaryota UNPD*
NPO12998 Salvia rubescens Species Lamiaceae Eukaryota UNPD*
NPO7345 Ptilonia magellanica Species Bonnemaisoniaceae Eukaryota UNPD*
NPO11555 Pterocaulon purpurascens Species Asteraceae Eukaryota UNPD*
NPO11097 Lepidium apetalum Species Brassicaceae Eukaryota UNPD*
NPO9512 Phlomis fruticosa Species Lamiaceae Eukaryota UNPD*
NPO5392 Pachycereus pecten-aboriginum Species Cactaceae Eukaryota UNPD*
NPO3740 Trisetum flavescens Species Poaceae Eukaryota UNPD*
NPO2300 Actinidia deliciosa Species Actinidiaceae Eukaryota UNPD*
NPO8484 Codonopsis lanceolata Species Campanulaceae Eukaryota UNPD*
NPO5827 Dalea tuberculata Species Fabaceae Eukaryota UNPD*
NPO1185 Stereocaulon strictum Species Stereocaulaceae Eukaryota UNPD*
NPO11257 Momordica dioica Species Cucurbitaceae Eukaryota UNPD*
NPO936 Pinalia spicata Species Orchidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus Inhibition < 50 % 27177824

  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 NPC27335 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
0.9412 High Similarity NPC254823
0.9397 High Similarity NPC84865
0.9328 High Similarity NPC134902
0.9316 High Similarity NPC226049
0.918 High Similarity NPC60150
0.918 High Similarity NPC192334
0.9174 High Similarity NPC476824
0.9098 High Similarity NPC476097
0.9098 High Similarity NPC327664
0.9098 High Similarity NPC24599
0.9098 High Similarity NPC470427
0.8462 Intermediate Similarity NPC25887
0.8397 Intermediate Similarity NPC470426
0.8385 Intermediate Similarity NPC476825
0.8306 Intermediate Similarity NPC63186
0.825 Intermediate Similarity NPC203862
0.8115 Intermediate Similarity NPC153085
0.8115 Intermediate Similarity NPC268326
0.8099 Intermediate Similarity NPC290693
0.8083 Intermediate Similarity NPC69576
0.8083 Intermediate Similarity NPC31354
0.8083 Intermediate Similarity NPC471633
0.8083 Intermediate Similarity NPC84949
0.8083 Intermediate Similarity NPC106446
0.8065 Intermediate Similarity NPC115349
0.8062 Intermediate Similarity NPC469674
0.8033 Intermediate Similarity NPC218093
0.8017 Intermediate Similarity NPC310341
0.8017 Intermediate Similarity NPC193382
0.8017 Intermediate Similarity NPC99620
0.8017 Intermediate Similarity NPC199428
0.8017 Intermediate Similarity NPC5311
0.8016 Intermediate Similarity NPC15095
0.8 Intermediate Similarity NPC472821
0.7967 Intermediate Similarity NPC5883
0.7967 Intermediate Similarity NPC29639
0.7967 Intermediate Similarity NPC291820
0.7967 Intermediate Similarity NPC44899
0.7967 Intermediate Similarity NPC304260
0.7967 Intermediate Similarity NPC81222
0.7966 Intermediate Similarity NPC257853
0.7951 Intermediate Similarity NPC77319
0.7951 Intermediate Similarity NPC473852
0.7951 Intermediate Similarity NPC27507
0.7951 Intermediate Similarity NPC142066
0.7951 Intermediate Similarity NPC243196
0.7951 Intermediate Similarity NPC84987
0.7951 Intermediate Similarity NPC309034
0.7951 Intermediate Similarity NPC93883
0.7951 Intermediate Similarity NPC244402
0.7951 Intermediate Similarity NPC99728
0.7951 Intermediate Similarity NPC50305
0.7951 Intermediate Similarity NPC87250
0.7951 Intermediate Similarity NPC152615
0.7951 Intermediate Similarity NPC157376
0.7951 Intermediate Similarity NPC471353
0.7951 Intermediate Similarity NPC34390
0.7951 Intermediate Similarity NPC471355
0.7951 Intermediate Similarity NPC158344
0.7951 Intermediate Similarity NPC471354
0.7951 Intermediate Similarity NPC196429
0.7951 Intermediate Similarity NPC474418
0.7951 Intermediate Similarity NPC471351
0.7949 Intermediate Similarity NPC472820
0.7931 Intermediate Similarity NPC200861
0.7931 Intermediate Similarity NPC161775
0.7923 Intermediate Similarity NPC469673
0.7907 Intermediate Similarity NPC279478
0.7907 Intermediate Similarity NPC196921
0.7907 Intermediate Similarity NPC220757
0.7907 Intermediate Similarity NPC241935
0.7903 Intermediate Similarity NPC107607
0.7899 Intermediate Similarity NPC177047
0.7886 Intermediate Similarity NPC83287
0.7863 Intermediate Similarity NPC472818
0.7863 Intermediate Similarity NPC186668
0.7863 Intermediate Similarity NPC220217
0.7863 Intermediate Similarity NPC119855
0.7863 Intermediate Similarity NPC476823
0.7863 Intermediate Similarity NPC85670
0.7857 Intermediate Similarity NPC329435
0.7846 Intermediate Similarity NPC34963
0.7845 Intermediate Similarity NPC85742
0.7845 Intermediate Similarity NPC160583
0.784 Intermediate Similarity NPC40749
0.784 Intermediate Similarity NPC231518
0.784 Intermediate Similarity NPC233500
0.784 Intermediate Similarity NPC475219
0.7833 Intermediate Similarity NPC262083
0.7833 Intermediate Similarity NPC284162
0.7833 Intermediate Similarity NPC255401
0.7833 Intermediate Similarity NPC470076
0.7833 Intermediate Similarity NPC471484
0.7829 Intermediate Similarity NPC35109
0.7826 Intermediate Similarity NPC295110
0.7826 Intermediate Similarity NPC268829
0.7826 Intermediate Similarity NPC247701
0.7826 Intermediate Similarity NPC222875
0.7826 Intermediate Similarity NPC25177
0.7823 Intermediate Similarity NPC30483
0.7823 Intermediate Similarity NPC219656
0.7823 Intermediate Similarity NPC55532
0.7823 Intermediate Similarity NPC470897
0.7823 Intermediate Similarity NPC32177
0.7823 Intermediate Similarity NPC329905
0.7823 Intermediate Similarity NPC469756
0.7823 Intermediate Similarity NPC236973
0.7823 Intermediate Similarity NPC292467
0.7815 Intermediate Similarity NPC206618
0.7815 Intermediate Similarity NPC475030
0.7786 Intermediate Similarity NPC58029
0.7778 Intermediate Similarity NPC196130
0.7778 Intermediate Similarity NPC471082
0.7778 Intermediate Similarity NPC472819
0.7778 Intermediate Similarity NPC193893
0.776 Intermediate Similarity NPC72260
0.776 Intermediate Similarity NPC475136
0.776 Intermediate Similarity NPC474466
0.776 Intermediate Similarity NPC475629
0.776 Intermediate Similarity NPC475556
0.7752 Intermediate Similarity NPC311534
0.7752 Intermediate Similarity NPC473888
0.7739 Intermediate Similarity NPC472826
0.7731 Intermediate Similarity NPC38948
0.7724 Intermediate Similarity NPC113425
0.7724 Intermediate Similarity NPC232564
0.7724 Intermediate Similarity NPC138372
0.7724 Intermediate Similarity NPC470075
0.7724 Intermediate Similarity NPC106228
0.7717 Intermediate Similarity NPC27363
0.7698 Intermediate Similarity NPC314535
0.7698 Intermediate Similarity NPC120390
0.7698 Intermediate Similarity NPC475590
0.7698 Intermediate Similarity NPC173555
0.7698 Intermediate Similarity NPC474908
0.7698 Intermediate Similarity NPC475419
0.7692 Intermediate Similarity NPC196471
0.7692 Intermediate Similarity NPC23584
0.7692 Intermediate Similarity NPC10232
0.7692 Intermediate Similarity NPC281378
0.7692 Intermediate Similarity NPC45897
0.7692 Intermediate Similarity NPC187302
0.7692 Intermediate Similarity NPC97487
0.7692 Intermediate Similarity NPC189588
0.768 Intermediate Similarity NPC305260
0.768 Intermediate Similarity NPC278681
0.768 Intermediate Similarity NPC270850
0.768 Intermediate Similarity NPC475041
0.7672 Intermediate Similarity NPC475617
0.7642 Intermediate Similarity NPC216665
0.7638 Intermediate Similarity NPC474423
0.7638 Intermediate Similarity NPC264336
0.7638 Intermediate Similarity NPC74259
0.7627 Intermediate Similarity NPC472822
0.7627 Intermediate Similarity NPC152966
0.7627 Intermediate Similarity NPC473543
0.7623 Intermediate Similarity NPC470025
0.7623 Intermediate Similarity NPC321272
0.7623 Intermediate Similarity NPC317460
0.7623 Intermediate Similarity NPC328074
0.7619 Intermediate Similarity NPC112936
0.7607 Intermediate Similarity NPC470972
0.7607 Intermediate Similarity NPC11956
0.7607 Intermediate Similarity NPC472552
0.7607 Intermediate Similarity NPC22634
0.7603 Intermediate Similarity NPC181298
0.76 Intermediate Similarity NPC16701
0.7597 Intermediate Similarity NPC250556
0.7597 Intermediate Similarity NPC469750
0.7586 Intermediate Similarity NPC38855
0.7583 Intermediate Similarity NPC88701
0.7583 Intermediate Similarity NPC50124
0.7581 Intermediate Similarity NPC207637
0.7581 Intermediate Similarity NPC190286
0.7578 Intermediate Similarity NPC308262
0.7578 Intermediate Similarity NPC208193
0.7578 Intermediate Similarity NPC473979
0.7578 Intermediate Similarity NPC117445
0.7578 Intermediate Similarity NPC219804
0.7565 Intermediate Similarity NPC231751
0.7565 Intermediate Similarity NPC475032
0.7565 Intermediate Similarity NPC141401
0.7565 Intermediate Similarity NPC475033
0.7563 Intermediate Similarity NPC82251
0.7563 Intermediate Similarity NPC470980
0.7561 Intermediate Similarity NPC470027
0.7559 Intermediate Similarity NPC46570
0.7557 Intermediate Similarity NPC104382
0.7557 Intermediate Similarity NPC473593
0.7542 Intermediate Similarity NPC474822
0.7542 Intermediate Similarity NPC473523
0.7542 Intermediate Similarity NPC474124
0.7541 Intermediate Similarity NPC71680
0.7541 Intermediate Similarity NPC17791
0.754 Intermediate Similarity NPC9674
0.754 Intermediate Similarity NPC19028
0.754 Intermediate Similarity NPC475834
0.754 Intermediate Similarity NPC35171
0.754 Intermediate Similarity NPC474179
0.754 Intermediate Similarity NPC213761

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC27335 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
0.7886 Intermediate Similarity NPD7328 Approved
0.7886 Intermediate Similarity NPD7327 Approved
0.784 Intermediate Similarity NPD8033 Approved
0.7823 Intermediate Similarity NPD7516 Approved
0.776 Intermediate Similarity NPD8294 Approved
0.776 Intermediate Similarity NPD8377 Approved
0.7698 Intermediate Similarity NPD8378 Approved
0.7698 Intermediate Similarity NPD8296 Approved
0.7698 Intermediate Similarity NPD7503 Approved
0.7698 Intermediate Similarity NPD8335 Approved
0.7698 Intermediate Similarity NPD8380 Approved
0.7698 Intermediate Similarity NPD8379 Approved
0.7597 Intermediate Similarity NPD7507 Approved
0.7436 Intermediate Similarity NPD7639 Approved
0.7436 Intermediate Similarity NPD7640 Approved
0.7424 Intermediate Similarity NPD7319 Approved
0.735 Intermediate Similarity NPD7638 Approved
0.7236 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7078 Approved
0.7109 Intermediate Similarity NPD7115 Discovery
0.7025 Intermediate Similarity NPD7632 Discontinued
0.7016 Intermediate Similarity NPD6686 Approved
0.6992 Remote Similarity NPD7492 Approved
0.6977 Remote Similarity NPD6009 Approved
0.6947 Remote Similarity NPD6059 Approved
0.6947 Remote Similarity NPD6054 Approved
0.6942 Remote Similarity NPD5344 Discontinued
0.694 Remote Similarity NPD6616 Approved
0.6935 Remote Similarity NPD6412 Phase 2
0.6929 Remote Similarity NPD6053 Discontinued
0.6905 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6889 Remote Similarity NPD8293 Discontinued
0.688 Remote Similarity NPD7320 Approved
0.6875 Remote Similarity NPD4632 Approved
0.686 Remote Similarity NPD6648 Approved
0.6855 Remote Similarity NPD6008 Approved
0.6842 Remote Similarity NPD6370 Approved
0.6838 Remote Similarity NPD7736 Approved
0.6797 Remote Similarity NPD6882 Approved
0.6791 Remote Similarity NPD7604 Phase 2
0.6777 Remote Similarity NPD4225 Approved
0.6767 Remote Similarity NPD6016 Approved
0.6767 Remote Similarity NPD6015 Approved
0.6744 Remote Similarity NPD8133 Approved
0.6735 Remote Similarity NPD7625 Phase 1
0.672 Remote Similarity NPD6675 Approved
0.672 Remote Similarity NPD5739 Approved
0.672 Remote Similarity NPD6402 Approved
0.672 Remote Similarity NPD7128 Approved
0.6716 Remote Similarity NPD5988 Approved
0.6692 Remote Similarity NPD6319 Approved
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6641 Remote Similarity NPD6371 Approved
0.6639 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6614 Remote Similarity NPD6881 Approved
0.6614 Remote Similarity NPD6899 Approved
0.6594 Remote Similarity NPD6033 Approved
0.6562 Remote Similarity NPD6373 Approved
0.6562 Remote Similarity NPD6372 Approved
0.6544 Remote Similarity NPD6067 Discontinued
0.6535 Remote Similarity NPD5697 Approved
0.6535 Remote Similarity NPD5701 Approved
0.6529 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6525 Remote Similarity NPD6051 Approved
0.6519 Remote Similarity NPD8513 Phase 3
0.6519 Remote Similarity NPD8515 Approved
0.6519 Remote Similarity NPD8517 Approved
0.6519 Remote Similarity NPD8516 Approved
0.6519 Remote Similarity NPD5983 Phase 2
0.6512 Remote Similarity NPD7290 Approved
0.6512 Remote Similarity NPD6883 Approved
0.6512 Remote Similarity NPD7102 Approved
0.6496 Remote Similarity NPD7524 Approved
0.6484 Remote Similarity NPD6011 Approved
0.6471 Remote Similarity NPD7838 Discovery
0.6462 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6462 Remote Similarity NPD6650 Approved
0.6462 Remote Similarity NPD8130 Phase 1
0.6462 Remote Similarity NPD6847 Approved
0.6462 Remote Similarity NPD6649 Approved
0.6462 Remote Similarity NPD6617 Approved
0.6462 Remote Similarity NPD6869 Approved
0.6449 Remote Similarity NPD6336 Discontinued
0.6446 Remote Similarity NPD6001 Approved
0.6434 Remote Similarity NPD6014 Approved
0.6434 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6434 Remote Similarity NPD6013 Approved
0.6434 Remote Similarity NPD6012 Approved
0.6423 Remote Similarity NPD6083 Phase 2
0.6423 Remote Similarity NPD6084 Phase 2
0.6417 Remote Similarity NPD7637 Suspended
0.6417 Remote Similarity NPD5281 Approved
0.6417 Remote Similarity NPD5284 Approved
0.6393 Remote Similarity NPD5695 Phase 3
0.6379 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4202 Approved
0.6364 Remote Similarity NPD6399 Phase 3
0.6356 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5211 Phase 2
0.6303 Remote Similarity NPD6903 Approved
0.6293 Remote Similarity NPD6695 Phase 3
0.629 Remote Similarity NPD4755 Approved
0.6286 Remote Similarity NPD8074 Phase 3
0.6281 Remote Similarity NPD6050 Approved
0.627 Remote Similarity NPD4159 Approved
0.626 Remote Similarity NPD4634 Approved
0.625 Remote Similarity NPD5141 Approved
0.6239 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6224 Remote Similarity NPD7260 Phase 2
0.6198 Remote Similarity NPD5692 Phase 3
0.6198 Remote Similarity NPD46 Approved
0.6198 Remote Similarity NPD6698 Approved
0.6198 Remote Similarity NPD5207 Approved
0.619 Remote Similarity NPD4700 Approved
0.619 Remote Similarity NPD5285 Approved
0.619 Remote Similarity NPD5286 Approved
0.619 Remote Similarity NPD4696 Approved
0.6187 Remote Similarity NPD8328 Phase 3
0.6186 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6181 Remote Similarity NPD6845 Suspended
0.6176 Remote Similarity NPD6335 Approved
0.6174 Remote Similarity NPD7525 Registered
0.6154 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6148 Remote Similarity NPD5693 Phase 1
0.6148 Remote Similarity NPD5694 Approved
0.6148 Remote Similarity NPD6274 Approved
0.6142 Remote Similarity NPD5223 Approved
0.6134 Remote Similarity NPD6684 Approved
0.6134 Remote Similarity NPD7521 Approved
0.6134 Remote Similarity NPD5330 Approved
0.6134 Remote Similarity NPD7334 Approved
0.6134 Remote Similarity NPD6409 Approved
0.6134 Remote Similarity NPD7146 Approved
0.6131 Remote Similarity NPD7100 Approved
0.6131 Remote Similarity NPD7101 Approved
0.6116 Remote Similarity NPD5328 Approved
0.6111 Remote Similarity NPD5696 Approved
0.6103 Remote Similarity NPD6317 Approved
0.6103 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6098 Remote Similarity NPD5778 Approved
0.6098 Remote Similarity NPD5779 Approved
0.6094 Remote Similarity NPD5226 Approved
0.6094 Remote Similarity NPD5225 Approved
0.6094 Remote Similarity NPD4633 Approved
0.6094 Remote Similarity NPD5224 Approved
0.609 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6083 Remote Similarity NPD7750 Discontinued
0.6058 Remote Similarity NPD6314 Approved
0.6058 Remote Similarity NPD6313 Approved
0.6048 Remote Similarity NPD7748 Approved
0.6047 Remote Similarity NPD4754 Approved
0.6047 Remote Similarity NPD5174 Approved
0.6047 Remote Similarity NPD5175 Approved
0.6043 Remote Similarity NPD6908 Approved
0.6043 Remote Similarity NPD6909 Approved
0.6043 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6042 Remote Similarity NPD5956 Approved
0.6034 Remote Similarity NPD6931 Approved
0.6034 Remote Similarity NPD4748 Discontinued
0.6034 Remote Similarity NPD6930 Phase 2
0.6033 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6032 Remote Similarity NPD7902 Approved
0.6032 Remote Similarity NPD5959 Approved
0.6016 Remote Similarity NPD8034 Phase 2
0.6016 Remote Similarity NPD6079 Approved
0.6016 Remote Similarity NPD7515 Phase 2
0.6016 Remote Similarity NPD8035 Phase 2
0.6 Remote Similarity NPD5279 Phase 3
0.6 Remote Similarity NPD3618 Phase 1
0.6 Remote Similarity NPD4694 Approved
0.6 Remote Similarity NPD5280 Approved
0.5985 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5984 Remote Similarity NPD6080 Approved
0.5984 Remote Similarity NPD6904 Approved
0.5984 Remote Similarity NPD4753 Phase 2
0.5984 Remote Similarity NPD6673 Approved
0.5983 Remote Similarity NPD6902 Approved
0.5983 Remote Similarity NPD4790 Discontinued
0.5966 Remote Similarity NPD4786 Approved
0.5966 Remote Similarity NPD3666 Approved
0.5966 Remote Similarity NPD3133 Approved
0.5966 Remote Similarity NPD3665 Phase 1
0.5965 Remote Similarity NPD6933 Approved
0.5965 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5954 Remote Similarity NPD4768 Approved
0.5954 Remote Similarity NPD4767 Approved
0.595 Remote Similarity NPD4250 Approved
0.595 Remote Similarity NPD4251 Approved
0.5948 Remote Similarity NPD6929 Approved
0.5935 Remote Similarity NPD5785 Approved
0.5917 Remote Similarity NPD7799 Discontinued
0.5917 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5902 Remote Similarity NPD6672 Approved
0.5902 Remote Similarity NPD5737 Approved
0.5897 Remote Similarity NPD6928 Phase 2
0.5897 Remote Similarity NPD7514 Phase 3
0.5887 Remote Similarity NPD6411 Approved
0.5887 Remote Similarity NPD7087 Discontinued
0.5882 Remote Similarity NPD5332 Approved

Structure

External Identifiers

PubChem CID   54671618
ChEMBL   CHEMBL3808702
ZINC  

Physicochemical Properties

Molecular Weight:  518.23
ALogP:  0.7495
MLogP:  4.1
XLogP:  1.111
# Rotatable Bonds:  8
Polar Surface Area:  102.29
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  9
# Heavy Atoms:  38

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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