Natural Product: NPC278228

Natural Product ID:  NPC278228
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C18H18O4
Standard InCHIKey:  PMTIQDYMOFNSLZ-MDZDMXLPSA-N
Standard InCHI:  InChI=1S/C18H18O4/c1-18(2)15(22-3)11-14(20)16(17(18)21)13(19)10-9-12-7-5-4-6-8-12/h4-11,20H,1-3H3/b10-9+
Canonical SMILES:  COC1=CC(=C(C(=O)C1(C)C)C(=O)/C=C/c1ccccc1)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
NPO25128 Panax vietnamensis Species Araliaceae Eukaryota UNPD*
NPO24549 Scutellaria cordifrons Species Lamiaceae Eukaryota UNPD*
NPO17249 Lespedeza capitata Species Fabaceae Eukaryota UNPD*
NPO24866 Smilax aspera Species Smilacaceae Eukaryota UNPD*
NPO25321 Acantholimon glumaceum Species Plumbaginaceae Eukaryota UNPD*
NPO23489 Stachys anisochila Species Lamiaceae Eukaryota UNPD*
NPO19721 Impatiens roylei Species Balsaminaceae Eukaryota UNPD*
NPO24591 Trichosanthes dioica Species Cucurbitaceae Eukaryota UNPD*
NPO8943 Juniperus californica Species Cupressaceae Eukaryota UNPD*
NPO25410 Manilkara bidentata Species Sapotaceae Eukaryota UNPD*
NPO5676 Annulohypoxylon multiforme Species Xylariaceae Eukaryota UNPD*
NPO25468 Tabernaemontana amygdalifolia Species Apocynaceae Eukaryota UNPD*
NPO24821 Nidorella resedifolia Species Asteraceae Eukaryota UNPD*
NPO18950 Cephalotaxus fortunei Species Taxaceae Eukaryota UNPD*
NPO22637 Kunzea ambigua Species Myrtaceae Eukaryota UNPD*
NPO25557 Alternaria porri Species Pleosporaceae Eukaryota UNPD*
NPO10407 Petromyzon marinus Species Petromyzontidae Eukaryota UNPD*
NPO16885 Phonus arborescens Species Asteraceae Eukaryota UNPD*
NPO24672 Helleborus purpurascens Species Ranunculaceae Eukaryota UNPD*
NPO28771 Clematis delavayi Species Ranunculaceae Eukaryota UNPD*
NPO24735 Cupania latifolia Species Sapindaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens ED50 > 5 ug/ml 17569518
NPT762 Cell Line A-431 Homo sapiens ED50 = 7 ug/ml 17569518
NPT309 Cell Line 1A9 Homo sapiens ED50 = 3.6 ug/ml 17569518
NPT180 Cell Line HCT-8 Homo sapiens ED50 = 3.3 ug/ml 17569518
NPT306 Cell Line PC-3 Homo sapiens ED50 = 14.2 ug/ml 17569518
NPT91 Cell Line KB Homo sapiens ED50 = 4.1 ug/ml 17569518
NPT91 Cell Line KB Homo sapiens ED50 = 2.9 ug/ml 17569518
NPT737 Cell Line HUVEC Homo sapiens ED50 > 20 ug/ml 17569518

  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 NPC278228 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
0.989 High Similarity NPC476120
0.866 High Similarity NPC179411
0.8384 Intermediate Similarity NPC54647
0.8384 Intermediate Similarity NPC474308
0.8105 Intermediate Similarity NPC477693
0.8105 Intermediate Similarity NPC477704
0.8 Intermediate Similarity NPC194326
0.798 Intermediate Similarity NPC473347
0.7925 Intermediate Similarity NPC469511
0.7909 Intermediate Similarity NPC471616
0.7822 Intermediate Similarity NPC240042
0.7789 Intermediate Similarity NPC123476
0.7778 Intermediate Similarity NPC222905
0.7757 Intermediate Similarity NPC475282
0.7745 Intermediate Similarity NPC145052
0.7736 Intermediate Similarity NPC51174
0.7719 Intermediate Similarity NPC474223
0.7719 Intermediate Similarity NPC475827
0.7706 Intermediate Similarity NPC218855
0.7679 Intermediate Similarity NPC108532
0.7677 Intermediate Similarity NPC476484
0.7664 Intermediate Similarity NPC20485
0.7664 Intermediate Similarity NPC470007
0.7664 Intermediate Similarity NPC47536
0.7647 Intermediate Similarity NPC103048
0.7647 Intermediate Similarity NPC289201
0.7636 Intermediate Similarity NPC477476
0.7636 Intermediate Similarity NPC477475
0.7636 Intermediate Similarity NPC471481
0.7624 Intermediate Similarity NPC206764
0.7593 Intermediate Similarity NPC40178
0.7573 Intermediate Similarity NPC317280
0.7573 Intermediate Similarity NPC329387
0.7568 Intermediate Similarity NPC234637
0.7568 Intermediate Similarity NPC130591
0.7565 Intermediate Similarity NPC474222
0.7565 Intermediate Similarity NPC475804
0.7549 Intermediate Similarity NPC12695
0.7524 Intermediate Similarity NPC472585
0.7521 Intermediate Similarity NPC474254
0.7521 Intermediate Similarity NPC474159
0.75 Intermediate Similarity NPC469509
0.75 Intermediate Similarity NPC179726
0.7478 Intermediate Similarity NPC43435
0.7475 Intermediate Similarity NPC231591
0.7456 Intermediate Similarity NPC61651
0.7453 Intermediate Similarity NPC68269
0.7451 Intermediate Similarity NPC5472
0.7434 Intermediate Similarity NPC260886
0.7434 Intermediate Similarity NPC23402
0.7423 Intermediate Similarity NPC53299
0.7414 Intermediate Similarity NPC476225
0.7411 Intermediate Similarity NPC294458
0.74 Intermediate Similarity NPC110420
0.74 Intermediate Similarity NPC67585
0.74 Intermediate Similarity NPC303967
0.7353 Intermediate Similarity NPC34243
0.7345 Intermediate Similarity NPC114144
0.7333 Intermediate Similarity NPC476042
0.7328 Intermediate Similarity NPC204784
0.7327 Intermediate Similarity NPC141607
0.7327 Intermediate Similarity NPC187725
0.7304 Intermediate Similarity NPC471553
0.7304 Intermediate Similarity NPC268930
0.7273 Intermediate Similarity NPC281604
0.7273 Intermediate Similarity NPC96625
0.7264 Intermediate Similarity NPC158623
0.7264 Intermediate Similarity NPC112552
0.7248 Intermediate Similarity NPC477251
0.7232 Intermediate Similarity NPC474689
0.7232 Intermediate Similarity NPC470355
0.7232 Intermediate Similarity NPC477250
0.7228 Intermediate Similarity NPC108026
0.7217 Intermediate Similarity NPC325646
0.7217 Intermediate Similarity NPC28951
0.7207 Intermediate Similarity NPC88141
0.7193 Intermediate Similarity NPC285350
0.719 Intermediate Similarity NPC328997
0.719 Intermediate Similarity NPC294050
0.7182 Intermediate Similarity NPC470391
0.717 Intermediate Similarity NPC130193
0.7167 Intermediate Similarity NPC325740
0.7158 Intermediate Similarity NPC139901
0.7158 Intermediate Similarity NPC151405
0.7143 Intermediate Similarity NPC44546
0.7131 Intermediate Similarity NPC146239
0.713 Intermediate Similarity NPC301943
0.713 Intermediate Similarity NPC474365
0.7113 Intermediate Similarity NPC99240
0.7111 Intermediate Similarity NPC98880
0.7105 Intermediate Similarity NPC326664
0.7105 Intermediate Similarity NPC196075
0.7105 Intermediate Similarity NPC87069
0.7097 Intermediate Similarity NPC471832
0.7097 Intermediate Similarity NPC32203
0.7097 Intermediate Similarity NPC206800
0.7091 Intermediate Similarity NPC29989
0.7091 Intermediate Similarity NPC70843
0.7091 Intermediate Similarity NPC95178
0.7091 Intermediate Similarity NPC69332
0.7087 Intermediate Similarity NPC77273
0.7083 Intermediate Similarity NPC139171
0.7083 Intermediate Similarity NPC65627
0.7083 Intermediate Similarity NPC164086
0.7075 Intermediate Similarity NPC135951
0.7075 Intermediate Similarity NPC154517
0.7075 Intermediate Similarity NPC201967
0.7075 Intermediate Similarity NPC271475
0.7073 Intermediate Similarity NPC316553
0.7069 Intermediate Similarity NPC19290
0.7064 Intermediate Similarity NPC329282
0.7053 Intermediate Similarity NPC50192
0.7048 Intermediate Similarity NPC30361
0.7043 Intermediate Similarity NPC93181
0.7043 Intermediate Similarity NPC215419
0.7037 Intermediate Similarity NPC222390
0.7037 Intermediate Similarity NPC244427
0.7033 Intermediate Similarity NPC95289
0.7027 Intermediate Similarity NPC156648
0.7019 Intermediate Similarity NPC181709
0.7019 Intermediate Similarity NPC23453
0.701 Intermediate Similarity NPC71795
0.7009 Intermediate Similarity NPC80115
0.7 Intermediate Similarity NPC311343
0.7 Intermediate Similarity NPC321670
0.6991 Remote Similarity NPC116842
0.6991 Remote Similarity NPC137315
0.6991 Remote Similarity NPC265513
0.6991 Remote Similarity NPC477247
0.6983 Remote Similarity NPC216387
0.6983 Remote Similarity NPC226093
0.6981 Remote Similarity NPC477767
0.6981 Remote Similarity NPC156021
0.6981 Remote Similarity NPC251579
0.6981 Remote Similarity NPC133135
0.6979 Remote Similarity NPC272260
0.6979 Remote Similarity NPC300205
0.6972 Remote Similarity NPC274443
0.6972 Remote Similarity NPC247976
0.6967 Remote Similarity NPC478108
0.6967 Remote Similarity NPC295664
0.6964 Remote Similarity NPC317305
0.6964 Remote Similarity NPC469636
0.6964 Remote Similarity NPC224584
0.696 Remote Similarity NPC25736
0.6957 Remote Similarity NPC474363
0.6949 Remote Similarity NPC249435
0.6947 Remote Similarity NPC3672
0.6947 Remote Similarity NPC329318
0.6947 Remote Similarity NPC287790
0.6939 Remote Similarity NPC475199
0.6939 Remote Similarity NPC283012
0.6937 Remote Similarity NPC188677
0.6937 Remote Similarity NPC6984
0.6937 Remote Similarity NPC193640
0.6937 Remote Similarity NPC100767
0.6937 Remote Similarity NPC475905
0.6937 Remote Similarity NPC25385
0.6935 Remote Similarity NPC268607
0.6931 Remote Similarity NPC286608
0.6931 Remote Similarity NPC169050
0.6931 Remote Similarity NPC69057
0.693 Remote Similarity NPC177576
0.693 Remote Similarity NPC114682
0.693 Remote Similarity NPC292834
0.6923 Remote Similarity NPC190298
0.6923 Remote Similarity NPC59677
0.6917 Remote Similarity NPC472981
0.6911 Remote Similarity NPC470649
0.6911 Remote Similarity NPC236405
0.6911 Remote Similarity NPC478107
0.6909 Remote Similarity NPC249067
0.6903 Remote Similarity NPC95172
0.69 Remote Similarity NPC99482
0.6897 Remote Similarity NPC474408
0.6897 Remote Similarity NPC228936
0.6893 Remote Similarity NPC240108
0.6893 Remote Similarity NPC213156
0.6887 Remote Similarity NPC469893
0.6885 Remote Similarity NPC12881
0.6885 Remote Similarity NPC85511
0.6885 Remote Similarity NPC140118
0.6885 Remote Similarity NPC472704
0.6881 Remote Similarity NPC25458
0.688 Remote Similarity NPC469930
0.6875 Remote Similarity NPC36342
0.6875 Remote Similarity NPC2785
0.6875 Remote Similarity NPC226699
0.6875 Remote Similarity NPC137847
0.6875 Remote Similarity NPC76455
0.6875 Remote Similarity NPC285470
0.687 Remote Similarity NPC477246
0.687 Remote Similarity NPC272524
0.687 Remote Similarity NPC477245
0.687 Remote Similarity NPC51698
0.687 Remote Similarity NPC143768
0.687 Remote Similarity NPC470253
0.6869 Remote Similarity NPC44830
0.6869 Remote Similarity NPC208183
0.6869 Remote Similarity NPC243289

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC278228 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
0.7619 Intermediate Similarity NPD6647 Phase 2
0.7525 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD5048 Discontinued
0.7383 Intermediate Similarity NPD5909 Discontinued
0.7273 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD6010 Discontinued
0.7097 Intermediate Similarity NPD9716 Approved
0.7071 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD3971 Phase 1
0.7009 Intermediate Similarity NPD2066 Phase 3
0.6931 Remote Similarity NPD1282 Approved
0.6909 Remote Similarity NPD1237 Approved
0.6842 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6827 Remote Similarity NPD7609 Phase 3
0.6822 Remote Similarity NPD3495 Discontinued
0.6803 Remote Similarity NPD3972 Approved
0.6783 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6765 Remote Similarity NPD650 Approved
0.6762 Remote Similarity NPD7631 Approved
0.6754 Remote Similarity NPD2067 Discontinued
0.6752 Remote Similarity NPD690 Clinical (unspecified phase)
0.6748 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6731 Remote Similarity NPD9256 Approved
0.6731 Remote Similarity NPD9258 Approved
0.6723 Remote Similarity NPD5536 Phase 2
0.6698 Remote Similarity NPD1202 Approved
0.6694 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1930 Approved
0.6667 Remote Similarity NPD1929 Approved
0.6667 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6667 Remote Similarity NPD942 Approved
0.6667 Remote Similarity NPD226 Approved
0.6667 Remote Similarity NPD1241 Discontinued
0.6667 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6639 Remote Similarity NPD9493 Approved
0.6636 Remote Similarity NPD6049 Phase 2
0.6636 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6635 Remote Similarity NPD5346 Phase 2
0.6635 Remote Similarity NPD5347 Phase 2
0.6612 Remote Similarity NPD4196 Clinical (unspecified phase)
0.661 Remote Similarity NPD5951 Approved
0.661 Remote Similarity NPD2629 Approved
0.6606 Remote Similarity NPD5926 Approved
0.6604 Remote Similarity NPD1088 Approved
0.6602 Remote Similarity NPD4793 Discontinued
0.6581 Remote Similarity NPD6858 Approved
0.6581 Remote Similarity NPD7094 Approved
0.6577 Remote Similarity NPD1932 Approved
0.6571 Remote Similarity NPD3672 Approved
0.6571 Remote Similarity NPD3673 Approved
0.6566 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6545 Remote Similarity NPD1238 Approved
0.6535 Remote Similarity NPD9491 Approved
0.6531 Remote Similarity NPD225 Approved
0.6531 Remote Similarity NPD227 Approved
0.6522 Remote Similarity NPD2182 Approved
0.6505 Remote Similarity NPD9257 Approved
0.6505 Remote Similarity NPD9259 Approved
0.65 Remote Similarity NPD405 Clinical (unspecified phase)
0.6491 Remote Similarity NPD3134 Approved
0.6481 Remote Similarity NPD1693 Approved
0.6481 Remote Similarity NPD2934 Approved
0.6481 Remote Similarity NPD2933 Approved
0.6476 Remote Similarity NPD800 Approved
0.646 Remote Similarity NPD164 Approved
0.6457 Remote Similarity NPD2798 Approved
0.6455 Remote Similarity NPD9495 Approved
0.6452 Remote Similarity NPD6287 Discontinued
0.6435 Remote Similarity NPD9263 Approved
0.6435 Remote Similarity NPD9264 Approved
0.6435 Remote Similarity NPD1358 Approved
0.6435 Remote Similarity NPD9267 Approved
0.6429 Remote Similarity NPD9294 Approved
0.6423 Remote Similarity NPD2932 Approved
0.6423 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6422 Remote Similarity NPD2860 Approved
0.6422 Remote Similarity NPD2859 Approved
0.6422 Remote Similarity NPD1989 Approved
0.6415 Remote Similarity NPD1090 Approved
0.6415 Remote Similarity NPD1089 Approved
0.6415 Remote Similarity NPD1086 Approved
0.641 Remote Similarity NPD2181 Clinical (unspecified phase)
0.64 Remote Similarity NPD4878 Approved
0.64 Remote Similarity NPD9717 Approved
0.6396 Remote Similarity NPD7798 Approved
0.6393 Remote Similarity NPD9545 Approved
0.6393 Remote Similarity NPD7009 Phase 2
0.6379 Remote Similarity NPD74 Approved
0.6379 Remote Similarity NPD9266 Approved
0.6379 Remote Similarity NPD2329 Discontinued
0.6371 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6355 Remote Similarity NPD1007 Discontinued
0.6348 Remote Similarity NPD6685 Approved
0.633 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6328 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6325 Remote Similarity NPD1317 Discontinued
0.6321 Remote Similarity NPD689 Discontinued
0.6311 Remote Similarity NPD7610 Discontinued
0.6308 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6303 Remote Similarity NPD5277 Phase 2
0.63 Remote Similarity NPD9490 Approved
0.6296 Remote Similarity NPD1508 Approved
0.6293 Remote Similarity NPD9265 Clinical (unspecified phase)
0.629 Remote Similarity NPD1778 Approved
0.629 Remote Similarity NPD3019 Approved
0.6288 Remote Similarity NPD1240 Approved
0.6286 Remote Similarity NPD1087 Approved
0.6286 Remote Similarity NPD506 Clinical (unspecified phase)
0.6281 Remote Similarity NPD3317 Approved
0.6281 Remote Similarity NPD4198 Discontinued
0.6273 Remote Similarity NPD5206 Clinical (unspecified phase)
0.626 Remote Similarity NPD3268 Approved
0.625 Remote Similarity NPD111 Approved
0.625 Remote Similarity NPD3020 Approved
0.625 Remote Similarity NPD1203 Approved
0.624 Remote Similarity NPD3496 Discontinued
0.624 Remote Similarity NPD3847 Discontinued
0.6239 Remote Similarity NPD1066 Discontinued
0.6231 Remote Similarity NPD6832 Phase 2
0.6228 Remote Similarity NPD9261 Approved
0.6228 Remote Similarity NPD5765 Approved
0.622 Remote Similarity NPD5157 Phase 1
0.622 Remote Similarity NPD5159 Phase 2
0.622 Remote Similarity NPD5158 Clinical (unspecified phase)
0.621 Remote Similarity NPD5585 Approved
0.6204 Remote Similarity NPD1239 Approved
0.6198 Remote Similarity NPD9281 Approved
0.6195 Remote Similarity NPD3135 Clinical (unspecified phase)
0.6194 Remote Similarity NPD6651 Approved
0.6194 Remote Similarity NPD1607 Approved
0.619 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6183 Remote Similarity NPD7008 Discontinued
0.6182 Remote Similarity NPD4094 Approved
0.6176 Remote Similarity NPD2935 Discontinued
0.6172 Remote Similarity NPD3225 Approved
0.6172 Remote Similarity NPD1876 Approved
0.6165 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6142 Remote Similarity NPD6637 Approved
0.6136 Remote Similarity NPD2313 Discontinued
0.6131 Remote Similarity NPD2344 Approved
0.6126 Remote Similarity NPD1809 Phase 2
0.6126 Remote Similarity NPD1843 Approved
0.6124 Remote Similarity NPD2797 Approved
0.6124 Remote Similarity NPD1470 Approved
0.6121 Remote Similarity NPD1018 Approved
0.6116 Remote Similarity NPD2650 Approved
0.6116 Remote Similarity NPD2652 Approved
0.6115 Remote Similarity NPD4628 Phase 3
0.6115 Remote Similarity NPD8166 Discontinued
0.6111 Remote Similarity NPD4879 Approved
0.6111 Remote Similarity NPD3026 Approved
0.6111 Remote Similarity NPD3023 Approved
0.6103 Remote Similarity NPD2799 Discontinued
0.6103 Remote Similarity NPD1510 Phase 2
0.6098 Remote Similarity NPD694 Clinical (unspecified phase)
0.6094 Remote Similarity NPD1755 Approved
0.6091 Remote Similarity NPD845 Approved
0.608 Remote Similarity NPD3025 Approved
0.608 Remote Similarity NPD3024 Approved
0.6077 Remote Similarity NPD5647 Approved
0.6077 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6077 Remote Similarity NPD6085 Phase 2
0.6071 Remote Similarity NPD1565 Approved
0.6071 Remote Similarity NPD1566 Phase 3
0.6071 Remote Similarity NPD1564 Approved
0.6071 Remote Similarity NPD4657 Approved
0.6071 Remote Similarity NPD4655 Approved
0.6063 Remote Similarity NPD1201 Approved
0.6053 Remote Similarity NPD289 Clinical (unspecified phase)
0.6053 Remote Similarity NPD3028 Approved
0.6043 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6036 Remote Similarity NPD9260 Approved
0.6036 Remote Similarity NPD688 Clinical (unspecified phase)
0.6033 Remote Similarity NPD2607 Approved
0.6032 Remote Similarity NPD5306 Approved
0.6032 Remote Similarity NPD5305 Approved
0.6032 Remote Similarity NPD4626 Approved
0.6031 Remote Similarity NPD4208 Discontinued
0.6031 Remote Similarity NPD9494 Approved
0.6031 Remote Similarity NPD5736 Approved
0.6031 Remote Similarity NPD7084 Phase 3
0.6016 Remote Similarity NPD7157 Approved
0.6 Remote Similarity NPD2193 Phase 2
0.6 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6 Remote Similarity NPD2648 Phase 3
0.6 Remote Similarity NPD3267 Approved
0.6 Remote Similarity NPD2171 Approved
0.6 Remote Similarity NPD3266 Approved
0.6 Remote Similarity NPD1894 Discontinued
0.5986 Remote Similarity NPD6799 Approved
0.5985 Remote Similarity NPD7033 Discontinued
0.5985 Remote Similarity NPD7055 Discontinued
0.5984 Remote Similarity NPD4136 Approved
0.5984 Remote Similarity NPD4135 Approved
0.5984 Remote Similarity NPD7077 Approved
0.5984 Remote Similarity NPD7076 Approved
0.5984 Remote Similarity NPD4106 Approved
0.5983 Remote Similarity NPD9697 Approved
0.5982 Remote Similarity NPD844 Approved
0.5971 Remote Similarity NPD1549 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL226846
ZINC  

Physicochemical Properties

Molecular Weight:  298.12
ALogP:  0.426
MLogP:  3
XLogP:  5.258
# Rotatable Bonds:  8
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs