Natural Product: NPC169222

Natural Product ID:  NPC169222
Common Name:   Cinnamic Aldehyde
IUPAC Name:   (Z)-3-phenylprop-2-enal
Synonyms:  
Molecular Formula:   C9H8O
Standard InCHIKey:  KJPRLNWUNMBNBZ-DAXSKMNVSA-N
Standard InCHI:  InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4-
Canonical SMILES:  O=C/C=Cc1ccccc1
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
NPO19649 Akebia quinata Species Lardizabalaceae Eukaryota TM-MC*
NPO11170 Akebia trifoliata Species Lardizabalaceae Eukaryota TM-MC*
NPO11421 Arnebia euchroma Species Boraginaceae Eukaryota TM-MC*
NPO20297 Arnebia guttata Species Boraginaceae Eukaryota TM-MC*
NPO15373 Actaea dahurica Species Ranunculaceae Eukaryota TM-MC*
NPO15890 Actaea cimicifuga Species Ranunculaceae Eukaryota TM-MC*
NPO389 Actaea heracleifolia Species Ranunculaceae Eukaryota TM-MC*
NPO2727 Actaea simplex Species Ranunculaceae Eukaryota TM-MC*
NPO9546 Cinamomum cassia NA NA NA TM-MC*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TM-MC*
NPO163 Daucus carota Species Apiaceae Eukaryota TM-MC*
NPO3987 Syzygium aromaticum Species Myrtaceae Eukaryota TM-MC*
NPO11776 Lithospermum erythrorhizon Species Boraginaceae Eukaryota TM-MC*
NPO19048 Pinellia ternata Species Araceae Eukaryota TM-MC*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TM-MC*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*
NPO9942.1 Narcissus tazetta var. chinensis Varieties Amaryllidaceae Eukaryota TCMID*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota TCMID*
NPO8255 Cinnamomum aromaticum Species Lauraceae Eukaryota TCMID*
NPO1797 Homo sapiens Species Hominidae Eukaryota Faeces PMID[19167006]
NPO1797 Homo sapiens Species Hominidae Eukaryota saliva PMID[24421258]
NPO30949 Eugenia caryopyhllata Species Myrtaceae Eukaryota TCM_Taiwan*
NPO31458 Cinnamomum cassia Species Lauraceae Eukaryota TCM_Taiwan*
NPO31458 Cinnamomum cassia Species Lauraceae Eukaryota HerDing*
NPO7067 Stellera chamaejasme Species Thymelaeaceae Eukaryota HerDing*
NPO9942.1 Narcissus tazetta var. chinensis Varieties Amaryllidaceae Eukaryota HerDing*
NPO11638 Cinnanmomi cortex NA NA NA TCMSP*
NPO29594 Herba taxilli NA NA NA TCMSP*
NPO11262 Alpinia katsumadai hayat Species Staphylinidae Eukaryota TCMSP*
NPO29463 Pogostemon cablin Species Lamiaceae Eukaryota TCMSP*
NPO29559 Cinnamomi ramulus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC100 > 250 ug/ml 23379671
NPT450 Organism Meloidogyne incognita Meloidogyne incognita EC50 = 12 ug/ml 23379671

  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 NPC169222 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 NPC235059
1.0 High Similarity NPC16190
0.9697 High Similarity NPC326200
0.9014 High Similarity NPC329318
0.8955 High Similarity NPC311343
0.8889 High Similarity NPC137847
0.8889 High Similarity NPC76455
0.8824 High Similarity NPC98880
0.8714 High Similarity NPC271437
0.8696 High Similarity NPC95289
0.8611 High Similarity NPC78500
0.8592 High Similarity NPC208075
0.8533 High Similarity NPC100039
0.8378 Intermediate Similarity NPC176228
0.8312 Intermediate Similarity NPC197581
0.8312 Intermediate Similarity NPC39600
0.8289 Intermediate Similarity NPC73978
0.8267 Intermediate Similarity NPC167577
0.8267 Intermediate Similarity NPC78517
0.8243 Intermediate Similarity NPC3672
0.8243 Intermediate Similarity NPC287790
0.8243 Intermediate Similarity NPC298023
0.8219 Intermediate Similarity NPC32203
0.8219 Intermediate Similarity NPC206800
0.8143 Intermediate Similarity NPC82770
0.8143 Intermediate Similarity NPC239931
0.8143 Intermediate Similarity NPC78954
0.8125 Intermediate Similarity NPC149436
0.8101 Intermediate Similarity NPC252067
0.8052 Intermediate Similarity NPC89950
0.8052 Intermediate Similarity NPC303245
0.8 Intermediate Similarity NPC269586
0.8 Intermediate Similarity NPC198841
0.8 Intermediate Similarity NPC179726
0.8 Intermediate Similarity NPC245966
0.7922 Intermediate Similarity NPC157055
0.7895 Intermediate Similarity NPC50192
0.7895 Intermediate Similarity NPC2785
0.7895 Intermediate Similarity NPC285470
0.7895 Intermediate Similarity NPC36342
0.7879 Intermediate Similarity NPC120441
0.7879 Intermediate Similarity NPC300345
0.7879 Intermediate Similarity NPC212114
0.7879 Intermediate Similarity NPC65873
0.7867 Intermediate Similarity NPC175393
0.7848 Intermediate Similarity NPC243289
0.7848 Intermediate Similarity NPC208183
0.7848 Intermediate Similarity NPC308619
0.7848 Intermediate Similarity NPC127491
0.7848 Intermediate Similarity NPC324835
0.7846 Intermediate Similarity NPC277704
0.7808 Intermediate Similarity NPC74458
0.7808 Intermediate Similarity NPC208302
0.7808 Intermediate Similarity NPC155429
0.7805 Intermediate Similarity NPC153308
0.7792 Intermediate Similarity NPC300205
0.7792 Intermediate Similarity NPC139901
0.7792 Intermediate Similarity NPC151405
0.7761 Intermediate Similarity NPC36357
0.7761 Intermediate Similarity NPC114327
0.7761 Intermediate Similarity NPC8235
0.7722 Intermediate Similarity NPC230068
0.7711 Intermediate Similarity NPC325709
0.7703 Intermediate Similarity NPC285679
0.7692 Intermediate Similarity NPC71664
0.7692 Intermediate Similarity NPC190567
0.7692 Intermediate Similarity NPC164086
0.7647 Intermediate Similarity NPC169110
0.7647 Intermediate Similarity NPC147062
0.7619 Intermediate Similarity NPC58872
0.76 Intermediate Similarity NPC108218
0.7595 Intermediate Similarity NPC12936
0.7595 Intermediate Similarity NPC145053
0.7595 Intermediate Similarity NPC273033
0.7595 Intermediate Similarity NPC71795
0.7564 Intermediate Similarity NPC170484
0.7561 Intermediate Similarity NPC164526
0.7536 Intermediate Similarity NPC150196
0.7536 Intermediate Similarity NPC310758
0.7536 Intermediate Similarity NPC246588
0.7536 Intermediate Similarity NPC238023
0.7536 Intermediate Similarity NPC54368
0.7536 Intermediate Similarity NPC210849
0.7536 Intermediate Similarity NPC135924
0.7536 Intermediate Similarity NPC248705
0.7529 Intermediate Similarity NPC103346
0.75 Intermediate Similarity NPC99240
0.75 Intermediate Similarity NPC64270
0.7468 Intermediate Similarity NPC17408
0.7468 Intermediate Similarity NPC285716
0.7468 Intermediate Similarity NPC95868
0.7468 Intermediate Similarity NPC121800
0.7429 Intermediate Similarity NPC29680
0.7429 Intermediate Similarity NPC22786
0.7429 Intermediate Similarity NPC200745
0.7429 Intermediate Similarity NPC66517
0.7429 Intermediate Similarity NPC71009
0.7407 Intermediate Similarity NPC273758
0.7324 Intermediate Similarity NPC113670
0.7324 Intermediate Similarity NPC21211
0.7324 Intermediate Similarity NPC88566
0.7317 Intermediate Similarity NPC44546
0.7308 Intermediate Similarity NPC9796
0.7294 Intermediate Similarity NPC173443
0.7286 Intermediate Similarity NPC45255
0.7284 Intermediate Similarity NPC323103
0.7284 Intermediate Similarity NPC103387
0.7262 Intermediate Similarity NPC169050
0.7262 Intermediate Similarity NPC286608
0.7229 Intermediate Similarity NPC53299
0.7222 Intermediate Similarity NPC198023
0.7222 Intermediate Similarity NPC155172
0.7222 Intermediate Similarity NPC32312
0.7222 Intermediate Similarity NPC291066
0.7215 Intermediate Similarity NPC103488
0.7215 Intermediate Similarity NPC224544
0.7209 Intermediate Similarity NPC213156
0.7209 Intermediate Similarity NPC240108
0.7195 Intermediate Similarity NPC324624
0.7195 Intermediate Similarity NPC215008
0.7195 Intermediate Similarity NPC149263
0.7195 Intermediate Similarity NPC270507
0.7191 Intermediate Similarity NPC286006
0.7143 Intermediate Similarity NPC307
0.7143 Intermediate Similarity NPC160339
0.7143 Intermediate Similarity NPC147578
0.7126 Intermediate Similarity NPC472319
0.7126 Intermediate Similarity NPC119631
0.7125 Intermediate Similarity NPC272260
0.7125 Intermediate Similarity NPC469894
0.7123 Intermediate Similarity NPC178527
0.7123 Intermediate Similarity NPC36440
0.7111 Intermediate Similarity NPC283711
0.7089 Intermediate Similarity NPC66655
0.7083 Intermediate Similarity NPC45756
0.7083 Intermediate Similarity NPC50266
0.7059 Intermediate Similarity NPC43945
0.7059 Intermediate Similarity NPC96625
0.7059 Intermediate Similarity NPC194326
0.7059 Intermediate Similarity NPC69057
0.7059 Intermediate Similarity NPC17497
0.7059 Intermediate Similarity NPC305602
0.7051 Intermediate Similarity NPC189371
0.7045 Intermediate Similarity NPC77273
0.7042 Intermediate Similarity NPC200624
0.7037 Intermediate Similarity NPC127343
0.7037 Intermediate Similarity NPC309279
0.7037 Intermediate Similarity NPC164449
0.7037 Intermediate Similarity NPC477703
0.7037 Intermediate Similarity NPC184030
0.7027 Intermediate Similarity NPC267443
0.7027 Intermediate Similarity NPC6107
0.7024 Intermediate Similarity NPC123476
0.7024 Intermediate Similarity NPC58616
0.7024 Intermediate Similarity NPC475710
0.7024 Intermediate Similarity NPC294134
0.7011 Intermediate Similarity NPC110420
0.7011 Intermediate Similarity NPC185501
0.7011 Intermediate Similarity NPC303967
0.7011 Intermediate Similarity NPC67585
0.6988 Remote Similarity NPC288903
0.6977 Remote Similarity NPC157778
0.6977 Remote Similarity NPC267262
0.6966 Remote Similarity NPC474974
0.6951 Remote Similarity NPC165212
0.6951 Remote Similarity NPC117180
0.6932 Remote Similarity NPC125226
0.6932 Remote Similarity NPC476484
0.6897 Remote Similarity NPC418308
0.6897 Remote Similarity NPC113307
0.6892 Remote Similarity NPC289915
0.6892 Remote Similarity NPC113837
0.6882 Remote Similarity NPC13755
0.6882 Remote Similarity NPC473325
0.6867 Remote Similarity NPC329319
0.6867 Remote Similarity NPC87299
0.6867 Remote Similarity NPC475199
0.6867 Remote Similarity NPC283012
0.6867 Remote Similarity NPC106313
0.6867 Remote Similarity NPC121478
0.6867 Remote Similarity NPC99394
0.6867 Remote Similarity NPC73637
0.6867 Remote Similarity NPC103326
0.686 Remote Similarity NPC53492
0.686 Remote Similarity NPC89377
0.6842 Remote Similarity NPC473206
0.6842 Remote Similarity NPC5324
0.6842 Remote Similarity NPC139416
0.6842 Remote Similarity NPC246822
0.6842 Remote Similarity NPC213570
0.6818 Remote Similarity NPC19256
0.6818 Remote Similarity NPC173413
0.6818 Remote Similarity NPC108026
0.6818 Remote Similarity NPC26224
0.6818 Remote Similarity NPC277277
0.6809 Remote Similarity NPC84325
0.6809 Remote Similarity NPC188895
0.68 Remote Similarity NPC52330
0.6786 Remote Similarity NPC172984
0.6786 Remote Similarity NPC285773

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC169222 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
0.8219 Intermediate Similarity NPD9716 Approved
0.7595 Intermediate Similarity NPD942 Approved
0.7468 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD675 Discontinued
0.7262 Intermediate Similarity NPD1282 Approved
0.7222 Intermediate Similarity NPD173 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD227 Approved
0.7215 Intermediate Similarity NPD225 Approved
0.7195 Intermediate Similarity NPD3971 Phase 1
0.7093 Intermediate Similarity NPD689 Discontinued
0.7089 Intermediate Similarity NPD9294 Approved
0.7067 Intermediate Similarity NPD9497 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD650 Approved
0.7059 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.6951 Remote Similarity NPD226 Approved
0.6914 Remote Similarity NPD9490 Approved
0.6786 Remote Similarity NPD9491 Approved
0.6744 Remote Similarity NPD9257 Approved
0.6744 Remote Similarity NPD9259 Approved
0.6742 Remote Similarity NPD1007 Discontinued
0.6742 Remote Similarity NPD7609 Phase 3
0.6667 Remote Similarity NPD7631 Approved
0.6667 Remote Similarity NPD1508 Approved
0.6667 Remote Similarity NPD292 Approved
0.6667 Remote Similarity NPD294 Approved
0.6629 Remote Similarity NPD3672 Approved
0.6629 Remote Similarity NPD3673 Approved
0.6596 Remote Similarity NPD1238 Approved
0.6593 Remote Similarity NPD1202 Approved
0.6582 Remote Similarity NPD9728 Phase 1
0.6548 Remote Similarity NPD9250 Approved
0.65 Remote Similarity NPD9589 Approved
0.65 Remote Similarity NPD9588 Approved
0.65 Remote Similarity NPD9590 Approved
0.65 Remote Similarity NPD80 Approved
0.65 Remote Similarity NPD9594 Approved
0.65 Remote Similarity NPD9593 Approved
0.65 Remote Similarity NPD9592 Approved
0.65 Remote Similarity NPD9591 Approved
0.65 Remote Similarity NPD505 Clinical (unspecified phase)
0.6489 Remote Similarity NPD5926 Approved
0.6477 Remote Similarity NPD4793 Discontinued
0.6477 Remote Similarity NPD1087 Approved
0.6452 Remote Similarity NPD1843 Approved
0.6444 Remote Similarity NPD9258 Approved
0.6444 Remote Similarity NPD9256 Approved
0.6413 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6413 Remote Similarity NPD1066 Discontinued
0.641 Remote Similarity NPD1673 Approved
0.6404 Remote Similarity NPD531 Approved
0.6392 Remote Similarity NPD6647 Phase 2
0.6383 Remote Similarity NPD1099 Approved
0.6383 Remote Similarity NPD1100 Approved
0.6383 Remote Similarity NPD3495 Discontinued
0.6344 Remote Similarity NPD6049 Phase 2
0.6344 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6333 Remote Similarity NPD5347 Phase 2
0.6333 Remote Similarity NPD5346 Phase 2
0.6333 Remote Similarity NPD800 Approved
0.6327 Remote Similarity NPD1237 Approved
0.6277 Remote Similarity NPD1989 Approved
0.6265 Remote Similarity NPD4147 Approved
0.6265 Remote Similarity NPD603 Approved
0.6265 Remote Similarity NPD4144 Approved
0.6264 Remote Similarity NPD1089 Approved
0.6264 Remote Similarity NPD1090 Approved
0.6264 Remote Similarity NPD1086 Approved
0.625 Remote Similarity NPD2066 Phase 3
0.62 Remote Similarity NPD3134 Approved
0.6196 Remote Similarity NPD1239 Approved
0.619 Remote Similarity NPD293 Approved
0.619 Remote Similarity NPD296 Approved
0.619 Remote Similarity NPD9397 Approved
0.619 Remote Similarity NPD9564 Approved
0.619 Remote Similarity NPD295 Approved
0.619 Remote Similarity NPD79 Approved
0.619 Remote Similarity NPD9393 Approved
0.619 Remote Similarity NPD9563 Approved
0.617 Remote Similarity NPD9260 Approved
0.6162 Remote Similarity NPD164 Approved
0.6146 Remote Similarity NPD9495 Approved
0.6139 Remote Similarity NPD1358 Approved
0.6139 Remote Similarity NPD3420 Clinical (unspecified phase)
0.6129 Remote Similarity NPD1088 Approved
0.6122 Remote Similarity NPD2193 Phase 2
0.6122 Remote Similarity NPD2171 Approved
0.6122 Remote Similarity NPD1932 Approved
0.6122 Remote Similarity NPD813 Approved
0.6122 Remote Similarity NPD2648 Phase 3
0.6122 Remote Similarity NPD2196 Discontinued
0.6118 Remote Similarity NPD1051 Approved
0.6118 Remote Similarity NPD1052 Approved
0.6118 Remote Similarity NPD590 Approved
0.6118 Remote Similarity NPD1053 Approved
0.6118 Remote Similarity NPD508 Approved
0.6118 Remote Similarity NPD507 Approved
0.6118 Remote Similarity NPD589 Approved
0.6118 Remote Similarity NPD1475 Approved
0.6111 Remote Similarity NPD187 Approved
0.6111 Remote Similarity NPD9538 Approved
0.6087 Remote Similarity NPD9072 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7798 Approved
0.6078 Remote Similarity NPD2182 Approved
0.6067 Remote Similarity NPD111 Approved
0.6064 Remote Similarity NPD3718 Approved
0.6064 Remote Similarity NPD1563 Approved
0.6064 Remote Similarity NPD1080 Approved
0.6064 Remote Similarity NPD3719 Approved
0.6061 Remote Similarity NPD1930 Approved
0.6061 Remote Similarity NPD1929 Approved
0.6061 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6047 Remote Similarity NPD3981 Approved
0.6047 Remote Similarity NPD5372 Approved
0.6047 Remote Similarity NPD5371 Approved
0.6047 Remote Similarity NPD260 Discontinued
0.6047 Remote Similarity NPD1617 Discontinued
0.6047 Remote Similarity NPD3903 Approved
0.6047 Remote Similarity NPD3904 Approved
0.6047 Remote Similarity NPD3979 Approved
0.6044 Remote Similarity NPD1101 Approved
0.6 Remote Similarity NPD688 Clinical (unspecified phase)
0.6 Remote Similarity NPD4094 Approved
0.6 Remote Similarity NPD7344 Phase 1
0.6 Remote Similarity NPD2577 Clinical (unspecified phase)
0.6 Remote Similarity NPD7343 Discovery
0.6 Remote Similarity NPD4814 Discontinued
0.6 Remote Similarity NPD1693 Approved
0.5978 Remote Similarity NPD9249 Phase 1
0.5978 Remote Similarity NPD1629 Approved
0.5978 Remote Similarity NPD1628 Approved
0.5977 Remote Similarity NPD472 Approved
0.5977 Remote Similarity NPD4027 Approved
0.5977 Remote Similarity NPD4026 Approved
0.5977 Remote Similarity NPD3035 Approved
0.5962 Remote Similarity NPD4141 Clinical (unspecified phase)
0.5962 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5941 Remote Similarity NPD1677 Discontinued
0.5941 Remote Similarity NPD2197 Approved
0.5941 Remote Similarity NPD2192 Approved
0.5941 Remote Similarity NPD1576 Approved
0.5938 Remote Similarity NPD5206 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4169 Approved
0.5909 Remote Similarity NPD4701 Clinical (unspecified phase)
0.5909 Remote Similarity NPD4170 Approved
0.59 Remote Similarity NPD3357 Discontinued
0.59 Remote Similarity NPD5765 Approved
0.59 Remote Similarity NPD5738 Clinical (unspecified phase)
0.5895 Remote Similarity NPD719 Approved
0.5895 Remote Similarity NPD720 Approved
0.5882 Remote Similarity NPD1064 Approved
0.5882 Remote Similarity NPD1065 Approved
0.5876 Remote Similarity NPD1564 Approved
0.5876 Remote Similarity NPD1565 Approved
0.5876 Remote Similarity NPD9566 Approved
0.5876 Remote Similarity NPD4655 Approved
0.5876 Remote Similarity NPD1566 Phase 3
0.5876 Remote Similarity NPD4657 Approved
0.5876 Remote Similarity NPD1076 Approved
0.5865 Remote Similarity NPD2067 Discontinued
0.5862 Remote Similarity NPD914 Suspended
0.5851 Remote Similarity NPD530 Approved
0.5843 Remote Similarity NPD263 Approved
0.5843 Remote Similarity NPD831 Approved
0.5843 Remote Similarity NPD4635 Approved
0.5843 Remote Similarity NPD423 Phase 3
0.5843 Remote Similarity NPD5288 Clinical (unspecified phase)
0.5843 Remote Similarity NPD1185 Approved
0.5843 Remote Similarity NPD2001 Discontinued
0.5843 Remote Similarity NPD262 Approved
0.5843 Remote Similarity NPD1800 Clinical (unspecified phase)
0.5843 Remote Similarity NPD830 Approved
0.5842 Remote Similarity NPD5909 Discontinued
0.5816 Remote Similarity NPD9609 Approved
0.5816 Remote Similarity NPD4263 Approved
0.5816 Remote Similarity NPD4813 Approved
0.5816 Remote Similarity NPD9612 Approved
0.5816 Remote Similarity NPD9611 Approved
0.5816 Remote Similarity NPD253 Approved
0.5816 Remote Similarity NPD466 Approved
0.5794 Remote Similarity NPD1241 Discontinued
0.5789 Remote Similarity NPD1812 Approved
0.5789 Remote Similarity NPD9251 Approved
0.5789 Remote Similarity NPD6690 Approved
0.5789 Remote Similarity NPD1814 Approved
0.5789 Remote Similarity NPD159 Clinical (unspecified phase)
0.5789 Remote Similarity NPD752 Approved
0.5784 Remote Similarity NPD5048 Discontinued
0.5784 Remote Similarity NPD9697 Approved
0.5778 Remote Similarity NPD2538 Approved
0.5778 Remote Similarity NPD3429 Approved
0.5778 Remote Similarity NPD5178 Approved
0.5778 Remote Similarity NPD4544 Approved
0.5778 Remote Similarity NPD3427 Approved
0.5778 Remote Similarity NPD785 Approved
0.5778 Remote Similarity NPD9395 Approved
0.5778 Remote Similarity NPD2539 Approved
0.5769 Remote Similarity NPD2329 Discontinued
0.5769 Remote Similarity NPD6831 Clinical (unspecified phase)
0.5758 Remote Similarity NPD3097 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   6428995
ChEMBL   CHEMBL2289233
ZINC  

Physicochemical Properties

Molecular Weight:  132.06
ALogP:  0.1687
MLogP:  2.34
XLogP:  3.985
# Rotatable Bonds:  2
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  10

Download Data

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Biological Activities  
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