Natural Product: NPC305603

Natural Product ID:  NPC305603
Common Name:   5-(11'(S)-Hydroxy-8'-Heptadecaenyl)Resorcinol
IUPAC Name:   5-[(Z,11S)-11-hydroxyheptadec-8-enyl]benzene-1,3-diol
Synonyms:  
Molecular Formula:   C23H38O3
Standard InCHIKey:  QKJHTDPOTJRZOH-DGDFFNOKSA-N
Standard InCHI:  InChI=1S/C23H38O3/c1-2-3-4-12-15-21(24)16-13-10-8-6-5-7-9-11-14-20-17-22(25)19-23(26)18-20/h10,13,17-19,21,24-26H,2-9,11-12,14-16H2,1H3/b13-10-/t21-/m0/s1
Canonical SMILES:  CCCCCC[C@@H](C/C=CCCCCCCCc1cc(O)cc(c1)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
NPO5292 Stylogyne turbacensis Species Primulaceae Eukaryota UNPD*
NPO8193 Streptomyces morookaense Species Streptomycetaceae Bacteria UNPD*
NPO1595 Grindelia paludosa Species Asteraceae Eukaryota UNPD*
NPO7669 Micromphale perforans Species Tricholomataceae Eukaryota UNPD*
NPO15010 Packera aurea Species Asteraceae Eukaryota UNPD*
NPO7825 Sinularia lochmodes Species Alcyoniidae Eukaryota UNPD*
NPO5292 Stylogyne turbacensis Species Primulaceae Eukaryota PMID[17629327]
NPO7829 Embelia robusta Species Primulaceae Eukaryota UNPD*
NPO5271.1 Ampelopsis glandulosa var. brevipedunculata Varieties Vitaceae Eukaryota UNPD*
NPO7306 Onchidella binneyi Species Onchidiidae Eukaryota UNPD*
NPO4552 Gnephosis arachnoidea Species Asteraceae Eukaryota UNPD*
NPO456 Swertia dilatata Species Gentianaceae Eukaryota UNPD*
NPO799 Psoralea bituminosa Species Fabaceae Eukaryota UNPD*
NPO5741 Nymphaea elegans Species Nymphaeaceae Eukaryota UNPD*
NPO5519 Aplidium uouo Species Polyclinidae Eukaryota UNPD*
NPO6110 Iryanthera elliptica Species Myristicaceae Eukaryota UNPD*
NPO1665 Paris tetraphylla Species Melanthiaceae Eukaryota UNPD*
NPO6867 Asparagus curillus Species Asparagaceae Eukaryota UNPD*
NPO23840 Taxus x media Species Taxaceae Eukaryota UNPD*
NPO4052 Lophura armata Species Phasianidae Eukaryota UNPD*
NPO869 Elaeagnus multiflora Species Elaeagnaceae Eukaryota UNPD*
NPO7094 Salvia candicans Species Lamiaceae Eukaryota UNPD*
NPO14959.1 Codonopsis pilosula subsp. tangshen Subspecies Campanulaceae Eukaryota UNPD*
NPO6797 Hyoscyamus reticulatus Species Solanaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 138000 nM 17629327
NPT633 Organism Leishmania donovani Leishmania donovani IC50 = 7000 nM 17629327
NPT83 Cell Line MCF7 Homo sapiens IC50 = 14000 nM 17629327
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 16000 nM 17629327
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 76000 nM 17629327

  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 NPC305603 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 NPC61033
0.9596 High Similarity NPC242342
0.9596 High Similarity NPC146798
0.9596 High Similarity NPC94351
0.9596 High Similarity NPC85479
0.9596 High Similarity NPC302219
0.9596 High Similarity NPC106396
0.9596 High Similarity NPC24404
0.9596 High Similarity NPC313030
0.9596 High Similarity NPC249828
0.9596 High Similarity NPC168303
0.9596 High Similarity NPC71002
0.9596 High Similarity NPC222522
0.9596 High Similarity NPC53051
0.9495 High Similarity NPC11280
0.9495 High Similarity NPC294186
0.9495 High Similarity NPC24407
0.9495 High Similarity NPC166313
0.9495 High Similarity NPC284011
0.9495 High Similarity NPC72947
0.9495 High Similarity NPC137415
0.9495 High Similarity NPC147310
0.9495 High Similarity NPC192032
0.9394 High Similarity NPC166761
0.9394 High Similarity NPC10588
0.9223 High Similarity NPC204901
0.9223 High Similarity NPC232523
0.9223 High Similarity NPC158253
0.9216 High Similarity NPC134829
0.9126 High Similarity NPC109691
0.9126 High Similarity NPC39664
0.9126 High Similarity NPC302681
0.9126 High Similarity NPC470700
0.9126 High Similarity NPC39097
0.9126 High Similarity NPC201662
0.9126 High Similarity NPC118286
0.9126 High Similarity NPC12640
0.9126 High Similarity NPC99836
0.9118 High Similarity NPC241891
0.9065 High Similarity NPC319803
0.9038 High Similarity NPC54844
0.9029 High Similarity NPC246056
0.9029 High Similarity NPC37802
0.9 High Similarity NPC474073
0.8991 High Similarity NPC123559
0.8972 High Similarity NPC473521
0.8932 High Similarity NPC227458
0.8932 High Similarity NPC244513
0.8932 High Similarity NPC218879
0.8922 High Similarity NPC143659
0.8922 High Similarity NPC100340
0.8889 High Similarity NPC261343
0.8868 High Similarity NPC33728
0.8868 High Similarity NPC19808
0.8846 High Similarity NPC471350
0.8829 High Similarity NPC9592
0.8829 High Similarity NPC48781
0.8824 High Similarity NPC294741
0.8796 High Similarity NPC166995
0.8788 High Similarity NPC94139
0.8788 High Similarity NPC147284
0.8788 High Similarity NPC3358
0.8788 High Similarity NPC306884
0.8788 High Similarity NPC210497
0.8788 High Similarity NPC162314
0.8788 High Similarity NPC295295
0.8785 High Similarity NPC475018
0.8774 High Similarity NPC174981
0.875 High Similarity NPC102216
0.875 High Similarity NPC30506
0.8704 High Similarity NPC165770
0.8704 High Similarity NPC224527
0.8704 High Similarity NPC4493
0.8704 High Similarity NPC225679
0.8704 High Similarity NPC476632
0.8692 High Similarity NPC186385
0.8692 High Similarity NPC299568
0.8673 High Similarity NPC223451
0.8627 High Similarity NPC291789
0.8624 High Similarity NPC43525
0.8614 High Similarity NPC313650
0.8611 High Similarity NPC168657
0.8586 High Similarity NPC192
0.8571 High Similarity NPC15860
0.8571 High Similarity NPC127894
0.8571 High Similarity NPC470759
0.8571 High Similarity NPC219070
0.8559 High Similarity NPC53906
0.8545 High Similarity NPC263753
0.8545 High Similarity NPC162113
0.8545 High Similarity NPC62546
0.8545 High Similarity NPC117846
0.8545 High Similarity NPC23804
0.8544 High Similarity NPC80027
0.8519 High Similarity NPC473524
0.8505 High Similarity NPC66834
0.8491 Intermediate Similarity NPC474839
0.8482 Intermediate Similarity NPC114064
0.8476 Intermediate Similarity NPC235762
0.8476 Intermediate Similarity NPC471228
0.8476 Intermediate Similarity NPC315022
0.8468 Intermediate Similarity NPC22610
0.8468 Intermediate Similarity NPC107240
0.8468 Intermediate Similarity NPC276737
0.8462 Intermediate Similarity NPC248573
0.8462 Intermediate Similarity NPC248396
0.8462 Intermediate Similarity NPC48730
0.8462 Intermediate Similarity NPC275053
0.8462 Intermediate Similarity NPC130103
0.8462 Intermediate Similarity NPC213730
0.8462 Intermediate Similarity NPC161571
0.8462 Intermediate Similarity NPC129373
0.8462 Intermediate Similarity NPC174911
0.8431 Intermediate Similarity NPC32714
0.8426 Intermediate Similarity NPC61885
0.8426 Intermediate Similarity NPC63698
0.8416 Intermediate Similarity NPC325292
0.8416 Intermediate Similarity NPC138117
0.8407 Intermediate Similarity NPC474933
0.8407 Intermediate Similarity NPC69261
0.8407 Intermediate Similarity NPC33270
0.8407 Intermediate Similarity NPC320864
0.84 Intermediate Similarity NPC312304
0.8396 Intermediate Similarity NPC119860
0.8396 Intermediate Similarity NPC323810
0.8396 Intermediate Similarity NPC475225
0.8396 Intermediate Similarity NPC315936
0.8393 Intermediate Similarity NPC84999
0.8393 Intermediate Similarity NPC808
0.8393 Intermediate Similarity NPC246760
0.8393 Intermediate Similarity NPC474486
0.8384 Intermediate Similarity NPC27974
0.8381 Intermediate Similarity NPC7686
0.8381 Intermediate Similarity NPC91461
0.8381 Intermediate Similarity NPC40258
0.8365 Intermediate Similarity NPC132078
0.8365 Intermediate Similarity NPC216468
0.8365 Intermediate Similarity NPC260775
0.8365 Intermediate Similarity NPC51333
0.8365 Intermediate Similarity NPC78119
0.8333 Intermediate Similarity NPC474352
0.8333 Intermediate Similarity NPC190514
0.8333 Intermediate Similarity NPC76938
0.8319 Intermediate Similarity NPC141090
0.8319 Intermediate Similarity NPC150624
0.8318 Intermediate Similarity NPC292452
0.8318 Intermediate Similarity NPC233396
0.8318 Intermediate Similarity NPC154899
0.8305 Intermediate Similarity NPC174729
0.8305 Intermediate Similarity NPC139774
0.8291 Intermediate Similarity NPC77789
0.8291 Intermediate Similarity NPC18128
0.8288 Intermediate Similarity NPC228452
0.8288 Intermediate Similarity NPC302371
0.8286 Intermediate Similarity NPC12931
0.8286 Intermediate Similarity NPC70677
0.8286 Intermediate Similarity NPC130756
0.8273 Intermediate Similarity NPC224870
0.8269 Intermediate Similarity NPC152097
0.8269 Intermediate Similarity NPC88420
0.8261 Intermediate Similarity NPC184302
0.8246 Intermediate Similarity NPC470760
0.8241 Intermediate Similarity NPC164576
0.8241 Intermediate Similarity NPC135464
0.8241 Intermediate Similarity NPC92623
0.8241 Intermediate Similarity NPC469913
0.8241 Intermediate Similarity NPC248904
0.8235 Intermediate Similarity NPC476254
0.8235 Intermediate Similarity NPC131397
0.8235 Intermediate Similarity NPC55903
0.823 Intermediate Similarity NPC167934
0.8224 Intermediate Similarity NPC12278
0.8218 Intermediate Similarity NPC47950
0.8218 Intermediate Similarity NPC300017
0.8218 Intermediate Similarity NPC55561
0.8218 Intermediate Similarity NPC300478
0.8208 Intermediate Similarity NPC477685
0.8208 Intermediate Similarity NPC101025
0.8208 Intermediate Similarity NPC471578
0.8208 Intermediate Similarity NPC252105
0.8198 Intermediate Similarity NPC187583
0.8198 Intermediate Similarity NPC268032
0.8198 Intermediate Similarity NPC257430
0.8198 Intermediate Similarity NPC179002
0.819 Intermediate Similarity NPC128723
0.819 Intermediate Similarity NPC282255
0.8182 Intermediate Similarity NPC202647
0.8182 Intermediate Similarity NPC55617
0.8182 Intermediate Similarity NPC62258
0.8174 Intermediate Similarity NPC144343
0.8174 Intermediate Similarity NPC206
0.8167 Intermediate Similarity NPC111723
0.8167 Intermediate Similarity NPC237517
0.8167 Intermediate Similarity NPC91204
0.8158 Intermediate Similarity NPC115808
0.8142 Intermediate Similarity NPC120280
0.8142 Intermediate Similarity NPC180508
0.8142 Intermediate Similarity NPC228287
0.8136 Intermediate Similarity NPC120638
0.8131 Intermediate Similarity NPC196479

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC305603 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
0.8738 High Similarity NPD940 Approved
0.8738 High Similarity NPD846 Approved
0.8692 High Similarity NPD4750 Phase 3
0.8462 Intermediate Similarity NPD1242 Phase 1
0.8252 Intermediate Similarity NPD844 Approved
0.8077 Intermediate Similarity NPD2860 Approved
0.8077 Intermediate Similarity NPD2859 Approved
0.8019 Intermediate Similarity NPD3020 Approved
0.8 Intermediate Similarity NPD288 Approved
0.7981 Intermediate Similarity NPD2933 Approved
0.7981 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7981 Intermediate Similarity NPD2934 Approved
0.7967 Intermediate Similarity NPD3027 Phase 3
0.7944 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD859 Approved
0.7724 Intermediate Similarity NPD599 Approved
0.7724 Intermediate Similarity NPD858 Approved
0.7724 Intermediate Similarity NPD602 Approved
0.7714 Intermediate Similarity NPD845 Approved
0.7712 Intermediate Similarity NPD3091 Approved
0.7699 Intermediate Similarity NPD3022 Approved
0.7699 Intermediate Similarity NPD3021 Approved
0.7677 Intermediate Similarity NPD9089 Approved
0.7624 Intermediate Similarity NPD111 Approved
0.7623 Intermediate Similarity NPD4749 Approved
0.7603 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD3092 Approved
0.7603 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD1444 Approved
0.7589 Intermediate Similarity NPD1445 Approved
0.7576 Intermediate Similarity NPD9093 Approved
0.7544 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD9614 Approved
0.7521 Intermediate Similarity NPD9618 Approved
0.7519 Intermediate Similarity NPD2568 Approved
0.75 Intermediate Similarity NPD7635 Approved
0.75 Intermediate Similarity NPD3094 Phase 2
0.746 Intermediate Similarity NPD4908 Phase 1
0.7459 Intermediate Similarity NPD1610 Phase 2
0.7458 Intermediate Similarity NPD6671 Approved
0.7438 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD1548 Phase 1
0.7407 Intermediate Similarity NPD1809 Phase 2
0.7402 Intermediate Similarity NPD4625 Phase 3
0.7391 Intermediate Similarity NPD1792 Phase 2
0.7364 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD1613 Approved
0.7344 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD16 Approved
0.7333 Intermediate Similarity NPD856 Approved
0.7333 Intermediate Similarity NPD9616 Approved
0.7333 Intermediate Similarity NPD9613 Approved
0.7333 Intermediate Similarity NPD9615 Approved
0.7304 Intermediate Similarity NPD2684 Approved
0.7295 Intermediate Similarity NPD9384 Approved
0.7295 Intermediate Similarity NPD9381 Approved
0.7295 Intermediate Similarity NPD3095 Discontinued
0.7288 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD316 Approved
0.7265 Intermediate Similarity NPD228 Approved
0.7265 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD9094 Approved
0.7231 Intermediate Similarity NPD2238 Phase 2
0.7222 Intermediate Similarity NPD1131 Approved
0.7222 Intermediate Similarity NPD1134 Approved
0.7222 Intermediate Similarity NPD1135 Approved
0.7222 Intermediate Similarity NPD1133 Approved
0.7222 Intermediate Similarity NPD1129 Approved
0.7217 Intermediate Similarity NPD290 Approved
0.7217 Intermediate Similarity NPD2342 Discontinued
0.7203 Intermediate Similarity NPD7843 Approved
0.72 Intermediate Similarity NPD4659 Approved
0.72 Intermediate Similarity NPD9622 Approved
0.719 Intermediate Similarity NPD317 Approved
0.719 Intermediate Similarity NPD318 Approved
0.7172 Intermediate Similarity NPD9294 Approved
0.7168 Intermediate Similarity NPD9500 Approved
0.7167 Intermediate Similarity NPD7157 Approved
0.7154 Intermediate Similarity NPD6405 Approved
0.7154 Intermediate Similarity NPD6407 Approved
0.7143 Intermediate Similarity NPD2229 Approved
0.7143 Intermediate Similarity NPD2228 Approved
0.7143 Intermediate Similarity NPD2234 Approved
0.712 Intermediate Similarity NPD2561 Approved
0.712 Intermediate Similarity NPD2562 Approved
0.7117 Intermediate Similarity NPD9273 Approved
0.7109 Intermediate Similarity NPD2861 Phase 2
0.7109 Intermediate Similarity NPD5736 Approved
0.7087 Intermediate Similarity NPD4103 Phase 2
0.7087 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1793 Approved
0.7083 Intermediate Similarity NPD1791 Approved
0.7054 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD422 Phase 1
0.7031 Intermediate Similarity NPD9619 Approved
0.7031 Intermediate Similarity NPD9620 Approved
0.7031 Intermediate Similarity NPD9621 Approved
0.7018 Intermediate Similarity NPD5700 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD3019 Approved
0.7016 Intermediate Similarity NPD4059 Approved
0.7016 Intermediate Similarity NPD2932 Approved
0.6992 Remote Similarity NPD7741 Discontinued
0.6991 Remote Similarity NPD3028 Approved
0.6984 Remote Similarity NPD2235 Phase 2
0.6984 Remote Similarity NPD2231 Phase 2
0.6983 Remote Similarity NPD968 Approved
0.6977 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6963 Remote Similarity NPD6099 Approved
0.6963 Remote Similarity NPD6100 Approved
0.6957 Remote Similarity NPD9610 Approved
0.6957 Remote Similarity NPD9608 Approved
0.6953 Remote Similarity NPD4339 Clinical (unspecified phase)
0.6947 Remote Similarity NPD598 Approved
0.6947 Remote Similarity NPD601 Approved
0.6947 Remote Similarity NPD597 Approved
0.6947 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6935 Remote Similarity NPD1357 Approved
0.6935 Remote Similarity NPD4093 Discontinued
0.6929 Remote Similarity NPD2983 Phase 2
0.6929 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6929 Remote Similarity NPD2982 Phase 2
0.6923 Remote Similarity NPD600 Approved
0.6923 Remote Similarity NPD596 Approved
0.6917 Remote Similarity NPD9379 Approved
0.6917 Remote Similarity NPD9377 Approved
0.6912 Remote Similarity NPD7266 Discontinued
0.6905 Remote Similarity NPD1091 Approved
0.6899 Remote Similarity NPD6584 Phase 3
0.6894 Remote Similarity NPD6663 Approved
0.6894 Remote Similarity NPD1132 Approved
0.6894 Remote Similarity NPD1130 Approved
0.6894 Remote Similarity NPD1136 Approved
0.6891 Remote Similarity NPD9280 Clinical (unspecified phase)
0.688 Remote Similarity NPD4626 Approved
0.6875 Remote Similarity NPD6696 Suspended
0.6869 Remote Similarity NPD9087 Approved
0.6866 Remote Similarity NPD5314 Approved
0.686 Remote Similarity NPD5283 Phase 1
0.6855 Remote Similarity NPD2226 Clinical (unspecified phase)
0.685 Remote Similarity NPD2230 Approved
0.685 Remote Similarity NPD2233 Approved
0.685 Remote Similarity NPD2981 Phase 2
0.685 Remote Similarity NPD2232 Approved
0.6846 Remote Similarity NPD3018 Phase 2
0.6842 Remote Similarity NPD3062 Approved
0.6842 Remote Similarity NPD3061 Approved
0.6842 Remote Similarity NPD3059 Approved
0.6842 Remote Similarity NPD943 Approved
0.6825 Remote Similarity NPD3496 Discontinued
0.6815 Remote Similarity NPD3555 Approved
0.6815 Remote Similarity NPD3552 Approved
0.6815 Remote Similarity NPD3553 Approved
0.6815 Remote Similarity NPD3554 Approved
0.6803 Remote Similarity NPD1476 Clinical (unspecified phase)
0.6791 Remote Similarity NPD5735 Approved
0.6791 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6791 Remote Similarity NPD230 Phase 1
0.6791 Remote Similarity NPD5124 Phase 1
0.6777 Remote Similarity NPD821 Approved
0.6772 Remote Similarity NPD1201 Approved
0.6767 Remote Similarity NPD839 Approved
0.6767 Remote Similarity NPD840 Approved
0.6765 Remote Similarity NPD7743 Approved
0.6765 Remote Similarity NPD9088 Approved
0.6765 Remote Similarity NPD7742 Approved
0.6763 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6763 Remote Similarity NPD3892 Phase 2
0.6746 Remote Similarity NPD1778 Approved
0.6746 Remote Similarity NPD2286 Discontinued
0.6746 Remote Similarity NPD1751 Approved
0.6741 Remote Similarity NPD823 Approved
0.6741 Remote Similarity NPD6653 Approved
0.6741 Remote Similarity NPD817 Approved
0.672 Remote Similarity NPD9545 Approved
0.6719 Remote Similarity NPD9269 Phase 2
0.6716 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6716 Remote Similarity NPD3620 Phase 2
0.6716 Remote Similarity NPD1240 Approved
0.6694 Remote Similarity NPD9493 Approved
0.6694 Remote Similarity NPD7325 Clinical (unspecified phase)
0.669 Remote Similarity NPD3158 Phase 1
0.669 Remote Similarity NPD7447 Phase 1
0.669 Remote Similarity NPD3157 Approved
0.6667 Remote Similarity NPD2629 Approved
0.6667 Remote Similarity NPD5327 Phase 3
0.6667 Remote Similarity NPD5691 Approved
0.6667 Remote Similarity NPD9268 Approved
0.6667 Remote Similarity NPD6582 Phase 2
0.6667 Remote Similarity NPD9612 Approved
0.6667 Remote Similarity NPD9609 Approved
0.6667 Remote Similarity NPD5763 Approved
0.6667 Remote Similarity NPD3685 Discontinued
0.6667 Remote Similarity NPD6583 Phase 3
0.6667 Remote Similarity NPD5451 Approved
0.6667 Remote Similarity NPD9495 Approved
0.6667 Remote Similarity NPD9611 Approved
0.6667 Remote Similarity NPD5762 Approved
0.6667 Remote Similarity NPD1755 Approved

Structure

External Identifiers

PubChem CID   23626633
ChEMBL   CHEMBL253132
ZINC  

Physicochemical Properties

Molecular Weight:  362.28
ALogP:  -3.2186
MLogP:  3.66
XLogP:  7.696
# Rotatable Bonds:  19
Polar Surface Area:  60.69
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  26

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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