Natural Product: NPC96333

Natural Product ID:  NPC96333
Common Name:   Epinodosin
IUPAC Name:  
Synonyms:   Epinodosin
Molecular Formula:   C20H26O6
Standard InCHIKey:  WZYJEEIAFBHYJS-YXZSDFPZSA-N
Standard InCHI:  InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,16-,19+,20+/m1/s1
Canonical SMILES:  C=C1[C@@H]2C[C@@H]([C@@H]3[C@](C1=O)(C2)C(=O)O[C@@H]1[C@]23CO[C@H]([C@@H]2C(CC1)(C)C)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
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota aerial parts Muli County, Sichuan Province, China 2011-AUG PMID[24219809]
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota UNPD*
NPO20336 Arctotheca calendula Species Asteraceae Eukaryota UNPD*
NPO21139 Daphniphyllum calycinum Species Daphniphyllaceae Eukaryota UNPD*
NPO17240 Crematogaster brevis Species Formicidae Eukaryota UNPD*
NPO19763 Meloidogyne incognita Species Meloidogynidae Eukaryota UNPD*
NPO21614 Urceolaria scruposa Species Trichodinidae Eukaryota UNPD*
NPO19768 Xylosalsola arbuscula Species Chenopodiaceae Eukaryota UNPD*
NPO16021 Boletus bovinus Species Boletaceae Eukaryota UNPD*
NPO1558 Ozothamnus obcordatus Species Asteraceae Eukaryota UNPD*
NPO20115 Melampodium argophyllum Species Asteraceae Eukaryota UNPD*
NPO16409 Quercus pedunculata Species Fagaceae Eukaryota UNPD*
NPO17508 Danae racemosa Species Asparagaceae Eukaryota UNPD*
NPO20470 Elaeagnus orientalis Species Elaeagnaceae Eukaryota UNPD*
NPO20543 Psydrax livida Species Rubiaceae Eukaryota UNPD*
NPO8991 Carcinus maenas Species Carcinidae Eukaryota UNPD*
NPO16019 Isodon japonica Species Lamiaceae Eukaryota HerDing*
NPO28626.1 Isodon rubescens var. lushanensis Varieties Lamiaceae Eukaryota HerDing*
NPO31127 Lsodon japonica NA NA NA TCM_Taiwan*
NPO19889 Cereus stellatus Species Sagartiidae Eukaryota UNPD*
NPO28626.1 Isodon rubescens var. lushanensis Varieties Lamiaceae Eukaryota TCMID*
NPO13742 Rabdosia macrophylla Species Lamiaceae Eukaryota TCMID*
NPO16019 Isodon japonica Species Lamiaceae Eukaryota TCMID*
NPO21482 Crotalaria laburnifolia Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 = 560 nM 19697926
NPT81 Cell Line A549 Homo sapiens IC50 = 2100 nM 19697926
NPT65 Cell Line HepG2 Homo sapiens IC50 = 1620 nM 19697926
NPT65 Cell Line HepG2 Homo sapiens IC50 = 450 nM 22483090
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 NPC96333 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
1.0 High Similarity NPC88833
0.9798 High Similarity NPC61071
0.9796 High Similarity NPC101842
0.9703 High Similarity NPC49730
0.9703 High Similarity NPC98069
0.9697 High Similarity NPC103172
0.9697 High Similarity NPC164600
0.9505 High Similarity NPC232133
0.9412 High Similarity NPC469983
0.9388 High Similarity NPC267921
0.93 High Similarity NPC139347
0.9208 High Similarity NPC244247
0.9118 High Similarity NPC285927
0.9109 High Similarity NPC96217
0.91 High Similarity NPC14634
0.91 High Similarity NPC236585
0.91 High Similarity NPC148279
0.9091 High Similarity NPC474793
0.9048 High Similarity NPC329953
0.9029 High Similarity NPC469746
0.902 High Similarity NPC13149
0.902 High Similarity NPC202793
0.8952 High Similarity NPC255655
0.8952 High Similarity NPC130302
0.8952 High Similarity NPC124053
0.8952 High Similarity NPC98633
0.8942 High Similarity NPC473410
0.8942 High Similarity NPC469733
0.8942 High Similarity NPC63841
0.8942 High Similarity NPC471094
0.8942 High Similarity NPC469984
0.8942 High Similarity NPC469729
0.8932 High Similarity NPC12823
0.8911 High Similarity NPC46848
0.89 High Similarity NPC26270
0.89 High Similarity NPC471038
0.8889 High Similarity NPC193785
0.8879 High Similarity NPC132668
0.8868 High Similarity NPC471251
0.8857 High Similarity NPC469744
0.8857 High Similarity NPC471250
0.8846 High Similarity NPC471474
0.8846 High Similarity NPC186054
0.8824 High Similarity NPC275990
0.8824 High Similarity NPC309388
0.8824 High Similarity NPC475803
0.8788 High Similarity NPC470232
0.8774 High Similarity NPC473324
0.8774 High Similarity NPC471476
0.8774 High Similarity NPC474786
0.8774 High Similarity NPC471093
0.8774 High Similarity NPC85391
0.8774 High Similarity NPC320383
0.8774 High Similarity NPC137104
0.875 High Similarity NPC56656
0.875 High Similarity NPC130511
0.875 High Similarity NPC307660
0.8738 High Similarity NPC87927
0.8725 High Similarity NPC289148
0.8725 High Similarity NPC52899
0.8725 High Similarity NPC163963
0.8725 High Similarity NPC39683
0.8725 High Similarity NPC471790
0.8716 High Similarity NPC229752
0.8716 High Similarity NPC88945
0.8713 High Similarity NPC89099
0.8713 High Similarity NPC38296
0.8713 High Similarity NPC162459
0.8713 High Similarity NPC38471
0.8713 High Similarity NPC20479
0.8713 High Similarity NPC98837
0.8713 High Similarity NPC28864
0.8704 High Similarity NPC285086
0.87 High Similarity NPC200054
0.87 High Similarity NPC329910
0.87 High Similarity NPC29410
0.8692 High Similarity NPC63244
0.8692 High Similarity NPC213320
0.8692 High Similarity NPC29505
0.8692 High Similarity NPC122339
0.8687 High Similarity NPC475118
0.8687 High Similarity NPC41649
0.8687 High Similarity NPC470385
0.8687 High Similarity NPC470386
0.8679 High Similarity NPC274827
0.8679 High Similarity NPC131903
0.8679 High Similarity NPC102741
0.8654 High Similarity NPC474558
0.8641 High Similarity NPC214946
0.8641 High Similarity NPC286519
0.8641 High Similarity NPC148628
0.8641 High Similarity NPC88203
0.8641 High Similarity NPC76866
0.8641 High Similarity NPC304832
0.8641 High Similarity NPC246736
0.8636 High Similarity NPC78836
0.8636 High Similarity NPC473304
0.8627 High Similarity NPC293866
0.8627 High Similarity NPC287676
0.8627 High Similarity NPC470388
0.8614 High Similarity NPC10864
0.8614 High Similarity NPC96839
0.8611 High Similarity NPC471245
0.8611 High Similarity NPC473397
0.8611 High Similarity NPC473352
0.8611 High Similarity NPC473303
0.8611 High Similarity NPC474927
0.8611 High Similarity NPC471244
0.86 High Similarity NPC98639
0.86 High Similarity NPC470229
0.8585 High Similarity NPC55973
0.8585 High Similarity NPC189663
0.8585 High Similarity NPC89860
0.8571 High Similarity NPC200957
0.8571 High Similarity NPC138908
0.8571 High Similarity NPC4115
0.8558 High Similarity NPC216114
0.8558 High Similarity NPC277074
0.8558 High Similarity NPC122811
0.8558 High Similarity NPC209298
0.8532 High Similarity NPC471252
0.8532 High Similarity NPC94141
0.8529 High Similarity NPC78427
0.8529 High Similarity NPC16911
0.8515 High Similarity NPC13949
0.8515 High Similarity NPC470387
0.8505 High Similarity NPC118721
0.8505 High Similarity NPC252679
0.85 High Similarity NPC47853
0.8491 Intermediate Similarity NPC67745
0.8491 Intermediate Similarity NPC166993
0.8491 Intermediate Similarity NPC471461
0.8491 Intermediate Similarity NPC201908
0.8491 Intermediate Similarity NPC176949
0.8485 Intermediate Similarity NPC198242
0.8485 Intermediate Similarity NPC211403
0.8485 Intermediate Similarity NPC250753
0.8476 Intermediate Similarity NPC84928
0.8476 Intermediate Similarity NPC98603
0.8455 Intermediate Similarity NPC17165
0.8455 Intermediate Similarity NPC243354
0.844 Intermediate Similarity NPC145625
0.844 Intermediate Similarity NPC157929
0.8431 Intermediate Similarity NPC253586
0.8426 Intermediate Similarity NPC42776
0.8411 Intermediate Similarity NPC112895
0.8411 Intermediate Similarity NPC273155
0.8411 Intermediate Similarity NPC469845
0.8411 Intermediate Similarity NPC231278
0.8411 Intermediate Similarity NPC218123
0.84 Intermediate Similarity NPC294263
0.8381 Intermediate Similarity NPC159442
0.8367 Intermediate Similarity NPC56413
0.8365 Intermediate Similarity NPC252614
0.8364 Intermediate Similarity NPC73986
0.8364 Intermediate Similarity NPC194273
0.8349 Intermediate Similarity NPC471243
0.8349 Intermediate Similarity NPC272242
0.8302 Intermediate Similarity NPC96268
0.8302 Intermediate Similarity NPC301787
0.8302 Intermediate Similarity NPC88469
0.83 Intermediate Similarity NPC470230
0.8286 Intermediate Similarity NPC124544
0.8283 Intermediate Similarity NPC200580
0.8269 Intermediate Similarity NPC108371
0.8235 Intermediate Similarity NPC231060
0.8235 Intermediate Similarity NPC84018
0.8235 Intermediate Similarity NPC138245
0.8235 Intermediate Similarity NPC210214
0.8224 Intermediate Similarity NPC295366
0.8224 Intermediate Similarity NPC37600
0.8224 Intermediate Similarity NPC222833
0.8218 Intermediate Similarity NPC181594
0.8218 Intermediate Similarity NPC144739
0.8205 Intermediate Similarity NPC174367
0.8205 Intermediate Similarity NPC47113
0.82 Intermediate Similarity NPC80401
0.8198 Intermediate Similarity NPC320118
0.8198 Intermediate Similarity NPC471248
0.8198 Intermediate Similarity NPC102619
0.8198 Intermediate Similarity NPC52634
0.819 Intermediate Similarity NPC253886
0.819 Intermediate Similarity NPC121218
0.8182 Intermediate Similarity NPC270586
0.8182 Intermediate Similarity NPC56025
0.8173 Intermediate Similarity NPC109059
0.8173 Intermediate Similarity NPC288
0.8165 Intermediate Similarity NPC8431
0.8148 Intermediate Similarity NPC471246
0.8137 Intermediate Similarity NPC29247
0.8137 Intermediate Similarity NPC129004
0.8137 Intermediate Similarity NPC101233
0.8137 Intermediate Similarity NPC289539
0.8137 Intermediate Similarity NPC191094
0.8137 Intermediate Similarity NPC302008
0.8137 Intermediate Similarity NPC153775
0.8137 Intermediate Similarity NPC91772
0.8137 Intermediate Similarity NPC111524
0.8137 Intermediate Similarity NPC261333
0.8137 Intermediate Similarity NPC292374

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96333 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
0.7949 Intermediate Similarity NPD6370 Approved
0.7917 Intermediate Similarity NPD7736 Approved
0.7833 Intermediate Similarity NPD8293 Discontinued
0.7815 Intermediate Similarity NPD7492 Approved
0.7778 Intermediate Similarity NPD6054 Approved
0.775 Intermediate Similarity NPD6616 Approved
0.7712 Intermediate Similarity NPD6016 Approved
0.7712 Intermediate Similarity NPD6015 Approved
0.7686 Intermediate Similarity NPD7078 Approved
0.7647 Intermediate Similarity NPD5988 Approved
0.7627 Intermediate Similarity NPD6059 Approved
0.7583 Intermediate Similarity NPD8328 Phase 3
0.7568 Intermediate Similarity NPD6008 Approved
0.7561 Intermediate Similarity NPD7319 Approved
0.75 Intermediate Similarity NPD5697 Approved
0.7479 Intermediate Similarity NPD6319 Approved
0.7478 Intermediate Similarity NPD6882 Approved
0.7459 Intermediate Similarity NPD7507 Approved
0.7434 Intermediate Similarity NPD6881 Approved
0.7434 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6899 Approved
0.7434 Intermediate Similarity NPD7320 Approved
0.7429 Intermediate Similarity NPD8035 Phase 2
0.7429 Intermediate Similarity NPD8034 Phase 2
0.7414 Intermediate Similarity NPD8133 Approved
0.7411 Intermediate Similarity NPD6675 Approved
0.7411 Intermediate Similarity NPD7128 Approved
0.7411 Intermediate Similarity NPD6402 Approved
0.7411 Intermediate Similarity NPD5739 Approved
0.7391 Intermediate Similarity NPD6650 Approved
0.7391 Intermediate Similarity NPD6649 Approved
0.7373 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD6009 Approved
0.7368 Intermediate Similarity NPD6372 Approved
0.7368 Intermediate Similarity NPD6012 Approved
0.7368 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD6013 Approved
0.7368 Intermediate Similarity NPD6373 Approved
0.7368 Intermediate Similarity NPD6014 Approved
0.7345 Intermediate Similarity NPD6412 Phase 2
0.7345 Intermediate Similarity NPD5701 Approved
0.7304 Intermediate Similarity NPD7102 Approved
0.7304 Intermediate Similarity NPD7290 Approved
0.7304 Intermediate Similarity NPD6883 Approved
0.7281 Intermediate Similarity NPD6686 Approved
0.7281 Intermediate Similarity NPD6011 Approved
0.7265 Intermediate Similarity NPD4632 Approved
0.7241 Intermediate Similarity NPD8130 Phase 1
0.7241 Intermediate Similarity NPD6847 Approved
0.7241 Intermediate Similarity NPD6617 Approved
0.7241 Intermediate Similarity NPD6869 Approved
0.7196 Intermediate Similarity NPD6399 Phase 3
0.7184 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD8297 Approved
0.7168 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7155 Intermediate Similarity NPD4634 Approved
0.7117 Intermediate Similarity NPD5285 Approved
0.7117 Intermediate Similarity NPD5286 Approved
0.7117 Intermediate Similarity NPD4696 Approved
0.7103 Intermediate Similarity NPD6079 Approved
0.7091 Intermediate Similarity NPD4755 Approved
0.7075 Intermediate Similarity NPD5328 Approved
0.7063 Intermediate Similarity NPD6033 Approved
0.7027 Intermediate Similarity NPD7638 Approved
0.7 Intermediate Similarity NPD5222 Approved
0.7 Intermediate Similarity NPD5221 Approved
0.7 Intermediate Similarity NPD6274 Approved
0.7 Intermediate Similarity NPD4697 Phase 3
0.7 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5983 Phase 2
0.6991 Remote Similarity NPD4633 Approved
0.6991 Remote Similarity NPD5225 Approved
0.6991 Remote Similarity NPD5224 Approved
0.6991 Remote Similarity NPD5226 Approved
0.6991 Remote Similarity NPD5211 Phase 2
0.6964 Remote Similarity NPD7639 Approved
0.6964 Remote Similarity NPD4700 Approved
0.6964 Remote Similarity NPD7640 Approved
0.6952 Remote Similarity NPD3618 Phase 1
0.6949 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7115 Discovery
0.6937 Remote Similarity NPD5173 Approved
0.6937 Remote Similarity NPD7902 Approved
0.693 Remote Similarity NPD5175 Approved
0.693 Remote Similarity NPD5174 Approved
0.6903 Remote Similarity NPD5223 Approved
0.6885 Remote Similarity NPD7328 Approved
0.6885 Remote Similarity NPD7327 Approved
0.688 Remote Similarity NPD7604 Phase 2
0.688 Remote Similarity NPD6067 Discontinued
0.6875 Remote Similarity NPD4225 Approved
0.687 Remote Similarity NPD5141 Approved
0.6832 Remote Similarity NPD6114 Approved
0.6832 Remote Similarity NPD6115 Approved
0.6832 Remote Similarity NPD6697 Approved
0.6832 Remote Similarity NPD6118 Approved
0.6829 Remote Similarity NPD7100 Approved
0.6829 Remote Similarity NPD7101 Approved
0.6829 Remote Similarity NPD7516 Approved
0.6818 Remote Similarity NPD7748 Approved
0.6803 Remote Similarity NPD6317 Approved
0.6789 Remote Similarity NPD6411 Approved
0.6789 Remote Similarity NPD7515 Phase 2
0.6786 Remote Similarity NPD6084 Phase 2
0.6786 Remote Similarity NPD6083 Phase 2
0.6774 Remote Similarity NPD8294 Approved
0.6774 Remote Similarity NPD8377 Approved
0.6772 Remote Similarity NPD6336 Discontinued
0.6757 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6757 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6314 Approved
0.6748 Remote Similarity NPD6335 Approved
0.6748 Remote Similarity NPD6313 Approved
0.6733 Remote Similarity NPD6116 Phase 1
0.6729 Remote Similarity NPD3573 Approved
0.6727 Remote Similarity NPD4202 Approved
0.6726 Remote Similarity NPD5696 Approved
0.6721 Remote Similarity NPD6868 Approved
0.672 Remote Similarity NPD8516 Approved
0.672 Remote Similarity NPD8335 Approved
0.672 Remote Similarity NPD8296 Approved
0.672 Remote Similarity NPD8378 Approved
0.672 Remote Similarity NPD8380 Approved
0.672 Remote Similarity NPD8379 Approved
0.672 Remote Similarity NPD8513 Phase 3
0.672 Remote Similarity NPD8515 Approved
0.672 Remote Similarity NPD8517 Approved
0.672 Remote Similarity NPD8033 Approved
0.672 Remote Similarity NPD6921 Approved
0.67 Remote Similarity NPD3703 Phase 2
0.6695 Remote Similarity NPD4730 Approved
0.6695 Remote Similarity NPD4729 Approved
0.6695 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6639 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6638 Remote Similarity NPD4754 Approved
0.6636 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6634 Remote Similarity NPD6117 Approved
0.6609 Remote Similarity NPD1700 Approved
0.6607 Remote Similarity NPD5695 Phase 3
0.6606 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6606 Remote Similarity NPD6101 Approved
0.6604 Remote Similarity NPD4786 Approved
0.6593 Remote Similarity NPD6334 Approved
0.6593 Remote Similarity NPD6333 Approved
0.6587 Remote Similarity NPD7503 Approved
0.6587 Remote Similarity NPD6908 Approved
0.6587 Remote Similarity NPD6909 Approved
0.6583 Remote Similarity NPD5247 Approved
0.6583 Remote Similarity NPD5249 Phase 3
0.6583 Remote Similarity NPD5250 Approved
0.6583 Remote Similarity NPD5251 Approved
0.6583 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5248 Approved
0.6571 Remote Similarity NPD3667 Approved
0.6565 Remote Similarity NPD5956 Approved
0.6552 Remote Similarity NPD7632 Discontinued
0.6529 Remote Similarity NPD5216 Approved
0.6529 Remote Similarity NPD5215 Approved
0.6529 Remote Similarity NPD5217 Approved
0.6518 Remote Similarity NPD6001 Approved
0.6514 Remote Similarity NPD6903 Approved
0.6514 Remote Similarity NPD5737 Approved
0.6514 Remote Similarity NPD6672 Approved
0.6481 Remote Similarity NPD7334 Approved
0.6481 Remote Similarity NPD5330 Approved
0.6481 Remote Similarity NPD7146 Approved
0.6481 Remote Similarity NPD7521 Approved
0.6481 Remote Similarity NPD6684 Approved
0.6481 Remote Similarity NPD6409 Approved
0.6475 Remote Similarity NPD6053 Discontinued
0.646 Remote Similarity NPD5210 Approved
0.646 Remote Similarity NPD4629 Approved
0.6455 Remote Similarity NPD4753 Phase 2
0.6449 Remote Similarity NPD3666 Approved
0.6449 Remote Similarity NPD3665 Phase 1
0.6449 Remote Similarity NPD3133 Approved
0.6446 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6446 Remote Similarity NPD5169 Approved
0.6446 Remote Similarity NPD5135 Approved
0.6436 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5779 Approved
0.6429 Remote Similarity NPD5778 Approved
0.6417 Remote Similarity NPD5168 Approved
0.6393 Remote Similarity NPD5127 Approved
0.6381 Remote Similarity NPD6928 Phase 2
0.6373 Remote Similarity NPD3702 Approved
0.6364 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6339 Remote Similarity NPD5284 Approved
0.6339 Remote Similarity NPD7637 Suspended
0.6339 Remote Similarity NPD5281 Approved
0.6333 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6321 Remote Similarity NPD1779 Approved
0.6321 Remote Similarity NPD1780 Approved

Structure

External Identifiers

PubChem CID   9975896
ChEMBL   CHEMBL1081333
ZINC  

Physicochemical Properties

Molecular Weight:  362.17
ALogP:  -0.8202
MLogP:  3
XLogP:  1.117
# Rotatable Bonds:  4
Polar Surface Area:  93.06
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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