Natural Product: NPC101842

Natural Product ID:  NPC101842
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H26O5
Standard InCHIKey:  QOAOBBJDPFYUKJ-RVMSTXCCSA-N
Standard InCHI:  InChI=1S/C20H26O5/c1-10-11-4-5-12-19(8-11,15(10)21)17(23)25-13-6-7-18(2,3)14-16(22)24-9-20(12,13)14/h11-14,16,22H,1,4-9H2,2-3H3/t11-,12-,13+,14-,16-,19+,20-/m1/s1
Canonical SMILES:  C=C1[C@@H]2CC[C@@H]3[C@](C1=O)(C2)C(=O)O[C@@H]1[C@]23CO[C@H]([C@@H]2C(CC1)(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
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota aerial parts Muli County, Sichuan Province, China 2011-AUG PMID[24219809]
NPO20470 Elaeagnus orientalis Species Elaeagnaceae Eukaryota UNPD*
NPO12197 Isodon trichocarpus Species Lamiaceae Eukaryota TCMID*
NPO16019 Isodon japonica Species Lamiaceae Eukaryota TCMID*
NPO19768 Xylosalsola arbuscula Species Chenopodiaceae Eukaryota UNPD*
NPO26123 Isodon serra Species Lamiaceae Eukaryota TCMID*
NPO20336 Arctotheca calendula Species Asteraceae Eukaryota UNPD*
NPO1558 Ozothamnus obcordatus Species Asteraceae Eukaryota UNPD*
NPO20115 Melampodium argophyllum Species Asteraceae Eukaryota UNPD*
NPO20543 Psydrax livida Species Rubiaceae Eukaryota UNPD*
NPO31127 Lsodon japonica NA NA NA TCM_Taiwan*
NPO19889 Cereus stellatus Species Sagartiidae Eukaryota UNPD*
NPO16021 Boletus bovinus Species Boletaceae Eukaryota UNPD*
NPO21614 Urceolaria scruposa Species Trichodinidae Eukaryota UNPD*
NPO16409 Quercus pedunculata Species Fagaceae Eukaryota UNPD*
NPO8991 Carcinus maenas Species Carcinidae Eukaryota UNPD*
NPO21482 Crotalaria laburnifolia Species Fabaceae Eukaryota UNPD*
NPO19763 Meloidogyne incognita Species Meloidogynidae Eukaryota UNPD*
NPO21139 Daphniphyllum calycinum Species Daphniphyllaceae Eukaryota UNPD*
NPO17240 Crematogaster brevis Species Formicidae Eukaryota UNPD*
NPO17508 Danae racemosa Species Asparagaceae Eukaryota UNPD*
NPO19475 Isodon sculponeatus Species Lamiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT660 Cell Line SW480 Homo sapiens Ratio IC50 = 15 24219809
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 2200 nM 24219809
NPT660 Cell Line SW480 Homo sapiens IC50 = 1000 nM 24219809
NPT83 Cell Line MCF7 Homo sapiens IC50 = 2600 nM 24219809
NPT81 Cell Line A549 Homo sapiens IC50 = 3200 nM 24219809
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 3500 nM 24219809
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2800 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 NPC101842 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
0.9796 High Similarity NPC61071
0.9796 High Similarity NPC96333
0.9796 High Similarity NPC88833
0.9505 High Similarity NPC49730
0.9505 High Similarity NPC98069
0.9495 High Similarity NPC103172
0.9495 High Similarity NPC164600
0.9307 High Similarity NPC232133
0.9216 High Similarity NPC469983
0.92 High Similarity NPC244247
0.9184 High Similarity NPC267921
0.9109 High Similarity NPC285927
0.91 High Similarity NPC139347
0.9091 High Similarity NPC148279
0.9091 High Similarity NPC236585
0.9082 High Similarity NPC474793
0.8911 High Similarity NPC96217
0.89 High Similarity NPC14634
0.8889 High Similarity NPC26270
0.8866 High Similarity NPC41649
0.8857 High Similarity NPC329953
0.8846 High Similarity NPC471250
0.8835 High Similarity NPC469746
0.8824 High Similarity NPC202793
0.8824 High Similarity NPC13149
0.8776 High Similarity NPC470232
0.8762 High Similarity NPC255655
0.8762 High Similarity NPC130302
0.8762 High Similarity NPC124053
0.8762 High Similarity NPC98633
0.875 High Similarity NPC471094
0.875 High Similarity NPC469733
0.875 High Similarity NPC473410
0.875 High Similarity NPC469984
0.875 High Similarity NPC469729
0.875 High Similarity NPC63841
0.8738 High Similarity NPC12823
0.8713 High Similarity NPC46848
0.87 High Similarity NPC471038
0.8692 High Similarity NPC132668
0.8687 High Similarity NPC193785
0.8687 High Similarity NPC329910
0.8679 High Similarity NPC471251
0.8673 High Similarity NPC470385
0.8673 High Similarity NPC475118
0.8673 High Similarity NPC470386
0.8667 High Similarity NPC469744
0.8654 High Similarity NPC186054
0.8654 High Similarity NPC471474
0.8627 High Similarity NPC275990
0.8627 High Similarity NPC475803
0.8627 High Similarity NPC309388
0.8586 High Similarity NPC470229
0.8585 High Similarity NPC137104
0.8585 High Similarity NPC85391
0.8585 High Similarity NPC471093
0.8585 High Similarity NPC474786
0.8585 High Similarity NPC471476
0.8585 High Similarity NPC473324
0.8585 High Similarity NPC320383
0.8558 High Similarity NPC307660
0.8558 High Similarity NPC130511
0.8558 High Similarity NPC56656
0.8544 High Similarity NPC87927
0.8542 High Similarity NPC56413
0.8532 High Similarity NPC229752
0.8532 High Similarity NPC88945
0.8529 High Similarity NPC163963
0.8529 High Similarity NPC39683
0.8529 High Similarity NPC471790
0.8529 High Similarity NPC289148
0.8529 High Similarity NPC52899
0.8519 High Similarity NPC285086
0.8515 High Similarity NPC20479
0.8515 High Similarity NPC162459
0.8515 High Similarity NPC38296
0.8515 High Similarity NPC38471
0.8515 High Similarity NPC28864
0.8515 High Similarity NPC98837
0.8515 High Similarity NPC89099
0.8505 High Similarity NPC63244
0.8505 High Similarity NPC29505
0.8505 High Similarity NPC122339
0.8505 High Similarity NPC213320
0.85 High Similarity NPC200054
0.85 High Similarity NPC13949
0.85 High Similarity NPC29410
0.85 High Similarity NPC470387
0.8491 Intermediate Similarity NPC131903
0.8491 Intermediate Similarity NPC274827
0.8491 Intermediate Similarity NPC102741
0.8485 Intermediate Similarity NPC47853
0.8469 Intermediate Similarity NPC211403
0.8469 Intermediate Similarity NPC250753
0.8469 Intermediate Similarity NPC198242
0.8462 Intermediate Similarity NPC474558
0.8455 Intermediate Similarity NPC78836
0.8455 Intermediate Similarity NPC473304
0.8447 Intermediate Similarity NPC286519
0.8447 Intermediate Similarity NPC304832
0.8447 Intermediate Similarity NPC88203
0.8447 Intermediate Similarity NPC246736
0.8447 Intermediate Similarity NPC76866
0.8447 Intermediate Similarity NPC214946
0.8447 Intermediate Similarity NPC148628
0.8431 Intermediate Similarity NPC470388
0.8431 Intermediate Similarity NPC293866
0.8431 Intermediate Similarity NPC287676
0.8426 Intermediate Similarity NPC473352
0.8426 Intermediate Similarity NPC473397
0.8426 Intermediate Similarity NPC473303
0.8426 Intermediate Similarity NPC471244
0.8426 Intermediate Similarity NPC471245
0.8426 Intermediate Similarity NPC474927
0.8416 Intermediate Similarity NPC96839
0.8416 Intermediate Similarity NPC253586
0.8416 Intermediate Similarity NPC10864
0.8411 Intermediate Similarity NPC42776
0.84 Intermediate Similarity NPC98639
0.8396 Intermediate Similarity NPC189663
0.8396 Intermediate Similarity NPC469845
0.8396 Intermediate Similarity NPC89860
0.8396 Intermediate Similarity NPC55973
0.8384 Intermediate Similarity NPC294263
0.8381 Intermediate Similarity NPC4115
0.8381 Intermediate Similarity NPC138908
0.8381 Intermediate Similarity NPC200957
0.8365 Intermediate Similarity NPC277074
0.8365 Intermediate Similarity NPC122811
0.8365 Intermediate Similarity NPC216114
0.8365 Intermediate Similarity NPC209298
0.8349 Intermediate Similarity NPC94141
0.8349 Intermediate Similarity NPC471252
0.8349 Intermediate Similarity NPC73986
0.8333 Intermediate Similarity NPC78427
0.8333 Intermediate Similarity NPC272242
0.8333 Intermediate Similarity NPC16911
0.8318 Intermediate Similarity NPC252679
0.8318 Intermediate Similarity NPC118721
0.8302 Intermediate Similarity NPC471461
0.8302 Intermediate Similarity NPC67745
0.8302 Intermediate Similarity NPC166993
0.8302 Intermediate Similarity NPC201908
0.8302 Intermediate Similarity NPC176949
0.8286 Intermediate Similarity NPC98603
0.8286 Intermediate Similarity NPC84928
0.8283 Intermediate Similarity NPC470230
0.8273 Intermediate Similarity NPC243354
0.8273 Intermediate Similarity NPC17165
0.8269 Intermediate Similarity NPC124544
0.8257 Intermediate Similarity NPC145625
0.8257 Intermediate Similarity NPC157929
0.8252 Intermediate Similarity NPC108371
0.8224 Intermediate Similarity NPC273155
0.8224 Intermediate Similarity NPC231278
0.8224 Intermediate Similarity NPC218123
0.8224 Intermediate Similarity NPC112895
0.8218 Intermediate Similarity NPC210214
0.819 Intermediate Similarity NPC159442
0.8182 Intermediate Similarity NPC194273
0.8182 Intermediate Similarity NPC102619
0.8173 Intermediate Similarity NPC252614
0.8165 Intermediate Similarity NPC471243
0.8165 Intermediate Similarity NPC270586
0.8155 Intermediate Similarity NPC109059
0.8155 Intermediate Similarity NPC288
0.8113 Intermediate Similarity NPC96268
0.8113 Intermediate Similarity NPC301787
0.8113 Intermediate Similarity NPC88469
0.8081 Intermediate Similarity NPC471043
0.8081 Intermediate Similarity NPC200580
0.8077 Intermediate Similarity NPC94906
0.8061 Intermediate Similarity NPC259009
0.8056 Intermediate Similarity NPC469844
0.8056 Intermediate Similarity NPC224414
0.8039 Intermediate Similarity NPC138245
0.8039 Intermediate Similarity NPC231060
0.8039 Intermediate Similarity NPC84018
0.8037 Intermediate Similarity NPC265127
0.8037 Intermediate Similarity NPC37600
0.8037 Intermediate Similarity NPC295366
0.8037 Intermediate Similarity NPC222833
0.8034 Intermediate Similarity NPC174367
0.8034 Intermediate Similarity NPC47113
0.802 Intermediate Similarity NPC144739
0.802 Intermediate Similarity NPC59170
0.802 Intermediate Similarity NPC181594
0.8019 Intermediate Similarity NPC469985
0.8019 Intermediate Similarity NPC470310
0.8018 Intermediate Similarity NPC320118
0.8018 Intermediate Similarity NPC471248
0.8018 Intermediate Similarity NPC52634
0.8 Intermediate Similarity NPC75941
0.8 Intermediate Similarity NPC71706
0.8 Intermediate Similarity NPC11035
0.8 Intermediate Similarity NPC121218
0.8 Intermediate Similarity NPC253886
0.8 Intermediate Similarity NPC56025
0.8 Intermediate Similarity NPC80401
0.8 Intermediate Similarity NPC180849

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC101842 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
0.7931 Intermediate Similarity NPD6370 Approved
0.7899 Intermediate Similarity NPD7736 Approved
0.7815 Intermediate Similarity NPD8293 Discontinued
0.7797 Intermediate Similarity NPD7492 Approved
0.7759 Intermediate Similarity NPD6054 Approved
0.7731 Intermediate Similarity NPD6616 Approved
0.7692 Intermediate Similarity NPD6016 Approved
0.7692 Intermediate Similarity NPD6015 Approved
0.7667 Intermediate Similarity NPD7078 Approved
0.7636 Intermediate Similarity NPD5697 Approved
0.7627 Intermediate Similarity NPD5988 Approved
0.7611 Intermediate Similarity NPD6882 Approved
0.7607 Intermediate Similarity NPD6059 Approved
0.7568 Intermediate Similarity NPD7320 Approved
0.7568 Intermediate Similarity NPD6881 Approved
0.7568 Intermediate Similarity NPD6899 Approved
0.7545 Intermediate Similarity NPD7128 Approved
0.7545 Intermediate Similarity NPD5739 Approved
0.7545 Intermediate Similarity NPD6675 Approved
0.7545 Intermediate Similarity NPD6402 Approved
0.7541 Intermediate Similarity NPD7319 Approved
0.75 Intermediate Similarity NPD6013 Approved
0.75 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD6014 Approved
0.7477 Intermediate Similarity NPD5701 Approved
0.7458 Intermediate Similarity NPD6319 Approved
0.7438 Intermediate Similarity NPD7507 Approved
0.7434 Intermediate Similarity NPD7290 Approved
0.7434 Intermediate Similarity NPD6883 Approved
0.7434 Intermediate Similarity NPD7102 Approved
0.7417 Intermediate Similarity NPD8328 Phase 3
0.7411 Intermediate Similarity NPD6011 Approved
0.7404 Intermediate Similarity NPD8035 Phase 2
0.7404 Intermediate Similarity NPD8034 Phase 2
0.7391 Intermediate Similarity NPD8133 Approved
0.7387 Intermediate Similarity NPD6008 Approved
0.7368 Intermediate Similarity NPD6617 Approved
0.7368 Intermediate Similarity NPD6650 Approved
0.7368 Intermediate Similarity NPD6649 Approved
0.7368 Intermediate Similarity NPD6869 Approved
0.7368 Intermediate Similarity NPD8130 Phase 1
0.7368 Intermediate Similarity NPD6847 Approved
0.735 Intermediate Similarity NPD6009 Approved
0.7345 Intermediate Similarity NPD6373 Approved
0.7345 Intermediate Similarity NPD6372 Approved
0.7327 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6412 Phase 2
0.7304 Intermediate Similarity NPD8297 Approved
0.7257 Intermediate Similarity NPD6686 Approved
0.7257 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD5285 Approved
0.7248 Intermediate Similarity NPD4696 Approved
0.7248 Intermediate Similarity NPD5286 Approved
0.7241 Intermediate Similarity NPD4632 Approved
0.7238 Intermediate Similarity NPD6079 Approved
0.7222 Intermediate Similarity NPD4755 Approved
0.7212 Intermediate Similarity NPD5328 Approved
0.7203 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6399 Phase 3
0.7143 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5221 Approved
0.713 Intermediate Similarity NPD4634 Approved
0.713 Intermediate Similarity NPD5222 Approved
0.7119 Intermediate Similarity NPD6274 Approved
0.7117 Intermediate Similarity NPD5224 Approved
0.7117 Intermediate Similarity NPD5225 Approved
0.7117 Intermediate Similarity NPD5226 Approved
0.7117 Intermediate Similarity NPD4633 Approved
0.7117 Intermediate Similarity NPD5211 Phase 2
0.7091 Intermediate Similarity NPD4700 Approved
0.7069 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD5173 Approved
0.7054 Intermediate Similarity NPD5175 Approved
0.7054 Intermediate Similarity NPD5174 Approved
0.704 Intermediate Similarity NPD6033 Approved
0.7027 Intermediate Similarity NPD5223 Approved
0.7 Intermediate Similarity NPD7638 Approved
0.6991 Remote Similarity NPD5141 Approved
0.6972 Remote Similarity NPD4697 Phase 3
0.6967 Remote Similarity NPD5983 Phase 2
0.6967 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7748 Approved
0.6942 Remote Similarity NPD7100 Approved
0.6942 Remote Similarity NPD7101 Approved
0.6937 Remote Similarity NPD7640 Approved
0.6937 Remote Similarity NPD7639 Approved
0.6923 Remote Similarity NPD3618 Phase 1
0.6917 Remote Similarity NPD7115 Discovery
0.6917 Remote Similarity NPD6317 Approved
0.6916 Remote Similarity NPD7515 Phase 2
0.6916 Remote Similarity NPD6411 Approved
0.6909 Remote Similarity NPD7902 Approved
0.6909 Remote Similarity NPD6083 Phase 2
0.6909 Remote Similarity NPD6084 Phase 2
0.6869 Remote Similarity NPD6116 Phase 1
0.686 Remote Similarity NPD6313 Approved
0.686 Remote Similarity NPD7328 Approved
0.686 Remote Similarity NPD6314 Approved
0.686 Remote Similarity NPD6335 Approved
0.686 Remote Similarity NPD7327 Approved
0.6857 Remote Similarity NPD3573 Approved
0.6855 Remote Similarity NPD6067 Discontinued
0.6855 Remote Similarity NPD7604 Phase 2
0.6852 Remote Similarity NPD4202 Approved
0.6847 Remote Similarity NPD4225 Approved
0.6833 Remote Similarity NPD6868 Approved
0.681 Remote Similarity NPD4729 Approved
0.681 Remote Similarity NPD4730 Approved
0.681 Remote Similarity NPD5128 Approved
0.6803 Remote Similarity NPD7516 Approved
0.68 Remote Similarity NPD6697 Approved
0.68 Remote Similarity NPD6114 Approved
0.68 Remote Similarity NPD6115 Approved
0.68 Remote Similarity NPD6118 Approved
0.6796 Remote Similarity NPD4788 Approved
0.6783 Remote Similarity NPD4768 Approved
0.6783 Remote Similarity NPD4767 Approved
0.6768 Remote Similarity NPD6117 Approved
0.6754 Remote Similarity NPD4754 Approved
0.6748 Remote Similarity NPD8294 Approved
0.6748 Remote Similarity NPD8377 Approved
0.6746 Remote Similarity NPD6336 Discontinued
0.6731 Remote Similarity NPD4786 Approved
0.6729 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6729 Remote Similarity NPD6101 Approved
0.6727 Remote Similarity NPD5695 Phase 3
0.6727 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6699 Remote Similarity NPD3667 Approved
0.6696 Remote Similarity NPD5696 Approved
0.6695 Remote Similarity NPD5248 Approved
0.6695 Remote Similarity NPD5249 Phase 3
0.6695 Remote Similarity NPD5247 Approved
0.6695 Remote Similarity NPD5250 Approved
0.6695 Remote Similarity NPD5251 Approved
0.6694 Remote Similarity NPD8033 Approved
0.6694 Remote Similarity NPD6908 Approved
0.6694 Remote Similarity NPD8379 Approved
0.6694 Remote Similarity NPD8380 Approved
0.6694 Remote Similarity NPD6909 Approved
0.6694 Remote Similarity NPD8335 Approved
0.6694 Remote Similarity NPD8296 Approved
0.6694 Remote Similarity NPD8378 Approved
0.6667 Remote Similarity NPD3703 Phase 2
0.6639 Remote Similarity NPD5215 Approved
0.6639 Remote Similarity NPD5216 Approved
0.6639 Remote Similarity NPD5217 Approved
0.6636 Remote Similarity NPD5737 Approved
0.6636 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6636 Remote Similarity NPD7900 Approved
0.6636 Remote Similarity NPD6903 Approved
0.6636 Remote Similarity NPD6672 Approved
0.661 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6604 Remote Similarity NPD7334 Approved
0.6604 Remote Similarity NPD6409 Approved
0.6604 Remote Similarity NPD5330 Approved
0.6604 Remote Similarity NPD7146 Approved
0.6604 Remote Similarity NPD7521 Approved
0.6604 Remote Similarity NPD6684 Approved
0.6604 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6574 Remote Similarity NPD4753 Phase 2
0.6571 Remote Similarity NPD3666 Approved
0.6571 Remote Similarity NPD3665 Phase 1
0.6571 Remote Similarity NPD3133 Approved
0.6567 Remote Similarity NPD6333 Approved
0.6567 Remote Similarity NPD6334 Approved
0.6566 Remote Similarity NPD6113 Clinical (unspecified phase)
0.656 Remote Similarity NPD8515 Approved
0.656 Remote Similarity NPD6921 Approved
0.656 Remote Similarity NPD8513 Phase 3
0.656 Remote Similarity NPD8516 Approved
0.656 Remote Similarity NPD8517 Approved
0.656 Remote Similarity NPD7503 Approved
0.6555 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5135 Approved
0.6555 Remote Similarity NPD5169 Approved
0.6538 Remote Similarity NPD5956 Approved
0.6525 Remote Similarity NPD5168 Approved
0.6522 Remote Similarity NPD7632 Discontinued
0.65 Remote Similarity NPD3702 Approved
0.65 Remote Similarity NPD5127 Approved
0.6486 Remote Similarity NPD6001 Approved
0.6486 Remote Similarity NPD5282 Discontinued
0.6481 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6446 Remote Similarity NPD6053 Discontinued
0.6435 Remote Similarity NPD1700 Approved
0.6429 Remote Similarity NPD5210 Approved
0.6429 Remote Similarity NPD4629 Approved
0.6417 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6396 Remote Similarity NPD5779 Approved
0.6396 Remote Similarity NPD5778 Approved
0.6364 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7525 Registered
0.6346 Remote Similarity NPD6928 Phase 2
0.6341 Remote Similarity NPD5167 Approved
0.6327 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6327 Remote Similarity NPD3700 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11382408
ChEMBL   CHEMBL3093767
ZINC  

Physicochemical Properties

Molecular Weight:  346.18
ALogP:  -0.0539
MLogP:  3.11
XLogP:  2.569
# Rotatable Bonds:  3
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  25

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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