Natural Product: NPC119631

Natural Product ID:  NPC119631
Common Name:   Benzyl Cinnamate
IUPAC Name:   benzyl (E)-3-phenylprop-2-enoate
Synonyms:   Benzyl (E)-Cinnamate; Benzyl Cinnamate; Benzyltrans Cinnamate
Molecular Formula:   C16H14O2
Standard InCHIKey:  NGHOLYJTSCBCGC-VAWYXSNFSA-N
Standard InCHI:  InChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
Canonical SMILES:  O=C(/C=C/c1ccccc1)OCc1ccccc1
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
NPO13876 Cedrela salvadorensis Species Meliaceae Eukaryota UNPD*
NPO14470 Polypodium decumanum Species Polypodiidae Eukaryota UNPD*
NPO13986 Anemone coronaria Species Ranunculaceae Eukaryota UNPD*
NPO2830 Bassia longifolia Species Abylidae Eukaryota UNPD*
NPO11729 Eugenia exsucca Species Myrtaceae Eukaryota UNPD*
NPO12006 Apis mellifera Species Apidae Eukaryota UNPD*
NPO14169 Acrocarpia paniculata Species Sargassaceae Eukaryota UNPD*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCM_Taiwan*
NPO31091 Comus officinalis NA NA NA TCM_Taiwan*
NPO6528 Myroxylon pereirae Species Fabaceae Eukaryota TCM_Taiwan*
NPO3013 Clathria basilana Species Microcionidae Eukaryota UNPD*
NPO9569 Licaria chrysophylla Species Lauraceae Eukaryota UNPD*
NPO13473 Anodendron affine Species Apocynaceae Eukaryota UNPD*
NPO18877 Asplenium ruprechtii Species Aspleniaceae Eukaryota UNPD*
NPO13379 Schizanthus tricolor Species Solanaceae Eukaryota UNPD*
NPO16476 Astroloma humifusum Species Ericaceae Eukaryota UNPD*
NPO4700 Pertusaria truncata Species Pertusariaceae Eukaryota UNPD*
NPO11842 Petasites laevigatus Species Asteraceae Eukaryota UNPD*
NPO13178 Ornithoglossum viride Species Colchicaceae Eukaryota UNPD*
NPO12521 Sphaeranthus confertifolius Species Asteraceae Eukaryota UNPD*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO29707 Benzoinum NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO20060 Styrax Species Styracaceae Eukaryota TCMSP*
NPO11291 Styrax benzoin Species Styracaceae Eukaryota TM-MC*
NPO12830 Styrax tonkinensis Species Styracaceae Eukaryota TM-MC*
NPO13669 Hertia cheirifolia Species Asteraceae Eukaryota UNPD*
NPO5280 Rubia tetragona Species Rubiaceae Eukaryota UNPD*
NPO14369 Pocillopora eydouxi Species Pocilloporidae Eukaryota UNPD*
NPO11266 Garcinia cambogia Species Clusiaceae Eukaryota UNPD*
NPO7541 Ormosia hosiei Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4364 Individual Protein 17-beta-hydroxysteroid-dehydrogenase Cochliobolus lunatus IC50 = 700 nM 15225701
NPT4364 Individual Protein 17-beta-hydroxysteroid-dehydrogenase Cochliobolus lunatus IC50 = 7000 nM 15225701
NPT1222 Individual Protein Type-1A angiotensin II receptor Mus musculus IC50 = 47.2 ug/ml 18672373
NPT2557 Organism Dermatophagoides pteronyssinus Dermatophagoides pteronyssinus EC50 = 0.18 g/m2 12762809
NPT483 Individual Protein Prelamin-A/C Homo sapiens Potency = 35.5 nM PubChem BioAssay data set
NPT5 Individual Protein Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 19011.5 nM PubChem BioAssay data set
NPT444 Individual Protein Ubiquitin carboxyl-terminal hydrolase 1 Homo sapiens Potency 10000 nM PubChem BioAssay data set
NPT737 Cell Line HUVEC Homo sapiens Inhibition = 50 % 21955679
NPT737 Cell Line HUVEC Homo sapiens IC50 = 70 ug/ml 21955679
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 14381.8 nM PubChem BioAssay data set

  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 NPC119631 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
0.9425 High Similarity NPC240108
0.9425 High Similarity NPC213156
0.931 High Similarity NPC173443
0.907 High Similarity NPC58616
0.9032 High Similarity NPC118343
0.8936 High Similarity NPC42211
0.8864 High Similarity NPC89377
0.8837 High Similarity NPC208183
0.8837 High Similarity NPC243289
0.8824 High Similarity NPC165212
0.8764 High Similarity NPC304760
0.8763 High Similarity NPC269457
0.8667 High Similarity NPC220893
0.8632 High Similarity NPC472318
0.8632 High Similarity NPC98911
0.8617 High Similarity NPC276775
0.8617 High Similarity NPC270654
0.8617 High Similarity NPC92754
0.8617 High Similarity NPC249912
0.8526 High Similarity NPC225060
0.8526 High Similarity NPC78701
0.8526 High Similarity NPC35448
0.85 High Similarity NPC206341
0.8471 Intermediate Similarity NPC176228
0.8438 Intermediate Similarity NPC146351
0.8409 Intermediate Similarity NPC324835
0.8409 Intermediate Similarity NPC308619
0.8409 Intermediate Similarity NPC127491
0.8404 Intermediate Similarity NPC130398
0.8372 Intermediate Similarity NPC78517
0.8372 Intermediate Similarity NPC167577
0.8367 Intermediate Similarity NPC474365
0.8367 Intermediate Similarity NPC234305
0.8367 Intermediate Similarity NPC301943
0.8351 Intermediate Similarity NPC70624
0.8283 Intermediate Similarity NPC85977
0.8247 Intermediate Similarity NPC325497
0.8242 Intermediate Similarity NPC96625
0.8218 Intermediate Similarity NPC260952
0.8211 Intermediate Similarity NPC5472
0.8182 Intermediate Similarity NPC303245
0.8182 Intermediate Similarity NPC89950
0.8173 Intermediate Similarity NPC265002
0.8172 Intermediate Similarity NPC185501
0.8161 Intermediate Similarity NPC170484
0.8155 Intermediate Similarity NPC183700
0.814 Intermediate Similarity NPC287790
0.814 Intermediate Similarity NPC3672
0.8119 Intermediate Similarity NPC475203
0.8119 Intermediate Similarity NPC474376
0.8119 Intermediate Similarity NPC472315
0.8119 Intermediate Similarity NPC472316
0.8105 Intermediate Similarity NPC23453
0.8105 Intermediate Similarity NPC261181
0.81 Intermediate Similarity NPC280616
0.81 Intermediate Similarity NPC242913
0.81 Intermediate Similarity NPC171831
0.809 Intermediate Similarity NPC106313
0.8081 Intermediate Similarity NPC188895
0.8077 Intermediate Similarity NPC234376
0.8077 Intermediate Similarity NPC158282
0.8077 Intermediate Similarity NPC79496
0.8068 Intermediate Similarity NPC121800
0.8065 Intermediate Similarity NPC9822
0.8061 Intermediate Similarity NPC203925
0.8058 Intermediate Similarity NPC273837
0.8043 Intermediate Similarity NPC286608
0.8043 Intermediate Similarity NPC169050
0.8041 Intermediate Similarity NPC325499
0.8039 Intermediate Similarity NPC277788
0.8023 Intermediate Similarity NPC175393
0.8022 Intermediate Similarity NPC475710
0.8 Intermediate Similarity NPC89886
0.8 Intermediate Similarity NPC179686
0.8 Intermediate Similarity NPC60679
0.8 Intermediate Similarity NPC128368
0.8 Intermediate Similarity NPC82426
0.8 Intermediate Similarity NPC91820
0.7978 Intermediate Similarity NPC71795
0.7961 Intermediate Similarity NPC474364
0.7961 Intermediate Similarity NPC469636
0.7961 Intermediate Similarity NPC10251
0.7961 Intermediate Similarity NPC17417
0.7944 Intermediate Similarity NPC473507
0.7941 Intermediate Similarity NPC136962
0.7941 Intermediate Similarity NPC326447
0.7941 Intermediate Similarity NPC37115
0.7941 Intermediate Similarity NPC119271
0.7921 Intermediate Similarity NPC114594
0.7889 Intermediate Similarity NPC323103
0.7889 Intermediate Similarity NPC103387
0.7889 Intermediate Similarity NPC99240
0.7885 Intermediate Similarity NPC196246
0.7885 Intermediate Similarity NPC251854
0.7885 Intermediate Similarity NPC214067
0.7885 Intermediate Similarity NPC93084
0.7864 Intermediate Similarity NPC151530
0.7864 Intermediate Similarity NPC157473
0.7864 Intermediate Similarity NPC56493
0.7843 Intermediate Similarity NPC209632
0.7843 Intermediate Similarity NPC128730
0.7826 Intermediate Similarity NPC53299
0.7822 Intermediate Similarity NPC304638
0.7812 Intermediate Similarity NPC77273
0.781 Intermediate Similarity NPC474157
0.781 Intermediate Similarity NPC210089
0.781 Intermediate Similarity NPC476003
0.781 Intermediate Similarity NPC167504
0.781 Intermediate Similarity NPC1082
0.781 Intermediate Similarity NPC305912
0.7802 Intermediate Similarity NPC270507
0.7798 Intermediate Similarity NPC469574
0.7788 Intermediate Similarity NPC83628
0.7788 Intermediate Similarity NPC265407
0.7778 Intermediate Similarity NPC475954
0.7767 Intermediate Similarity NPC176971
0.7745 Intermediate Similarity NPC109637
0.7745 Intermediate Similarity NPC269644
0.7745 Intermediate Similarity NPC31786
0.7742 Intermediate Similarity NPC318107
0.7736 Intermediate Similarity NPC82899
0.7736 Intermediate Similarity NPC270699
0.7727 Intermediate Similarity NPC275519
0.7723 Intermediate Similarity NPC45613
0.7714 Intermediate Similarity NPC79543
0.7714 Intermediate Similarity NPC149545
0.7714 Intermediate Similarity NPC174099
0.7708 Intermediate Similarity NPC472319
0.7685 Intermediate Similarity NPC210092
0.767 Intermediate Similarity NPC472919
0.767 Intermediate Similarity NPC139891
0.767 Intermediate Similarity NPC227255
0.7664 Intermediate Similarity NPC272524
0.7664 Intermediate Similarity NPC474176
0.7664 Intermediate Similarity NPC161611
0.7642 Intermediate Similarity NPC260818
0.7636 Intermediate Similarity NPC45104
0.7634 Intermediate Similarity NPC294134
0.7624 Intermediate Similarity NPC253746
0.7619 Intermediate Similarity NPC99846
0.7619 Intermediate Similarity NPC281604
0.7619 Intermediate Similarity NPC269023
0.7615 Intermediate Similarity NPC296526
0.7596 Intermediate Similarity NPC30594
0.7596 Intermediate Similarity NPC37622
0.7593 Intermediate Similarity NPC153053
0.7593 Intermediate Similarity NPC308744
0.7593 Intermediate Similarity NPC307651
0.7573 Intermediate Similarity NPC2518
0.757 Intermediate Similarity NPC474314
0.757 Intermediate Similarity NPC321852
0.757 Intermediate Similarity NPC185840
0.7568 Intermediate Similarity NPC277460
0.7549 Intermediate Similarity NPC84325
0.7549 Intermediate Similarity NPC94343
0.7545 Intermediate Similarity NPC128249
0.7527 Intermediate Similarity NPC95429
0.7525 Intermediate Similarity NPC171843
0.7524 Intermediate Similarity NPC472314
0.7524 Intermediate Similarity NPC475465
0.7524 Intermediate Similarity NPC156648
0.7523 Intermediate Similarity NPC306740
0.7523 Intermediate Similarity NPC474685
0.7522 Intermediate Similarity NPC229600
0.75 Intermediate Similarity NPC473855
0.75 Intermediate Similarity NPC127676
0.75 Intermediate Similarity NPC206800
0.75 Intermediate Similarity NPC263386
0.75 Intermediate Similarity NPC32203
0.75 Intermediate Similarity NPC141791
0.75 Intermediate Similarity NPC238115
0.75 Intermediate Similarity NPC288760
0.75 Intermediate Similarity NPC289201
0.7477 Intermediate Similarity NPC473809
0.7477 Intermediate Similarity NPC228318
0.7476 Intermediate Similarity NPC255676
0.7455 Intermediate Similarity NPC149691
0.7455 Intermediate Similarity NPC100353
0.7453 Intermediate Similarity NPC40178
0.7453 Intermediate Similarity NPC85493
0.7451 Intermediate Similarity NPC13755
0.7451 Intermediate Similarity NPC316797
0.7434 Intermediate Similarity NPC233282
0.7434 Intermediate Similarity NPC473243
0.7431 Intermediate Similarity NPC474363
0.7429 Intermediate Similarity NPC51174
0.7429 Intermediate Similarity NPC477251
0.7426 Intermediate Similarity NPC175298
0.7423 Intermediate Similarity NPC62765
0.7419 Intermediate Similarity NPC288903
0.7407 Intermediate Similarity NPC139946
0.7404 Intermediate Similarity NPC283546
0.74 Intermediate Similarity NPC246679
0.7387 Intermediate Similarity NPC190298
0.7368 Intermediate Similarity NPC470848
0.7368 Intermediate Similarity NPC470849
0.7364 Intermediate Similarity NPC474408
0.7364 Intermediate Similarity NPC87563
0.7358 Intermediate Similarity NPC47536
0.7358 Intermediate Similarity NPC20485

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC119631 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
0.9032 High Similarity NPD1238 Approved
0.8105 Intermediate Similarity NPD1202 Approved
0.8043 Intermediate Similarity NPD1282 Approved
0.7961 Intermediate Similarity NPD2182 Approved
0.7959 Intermediate Similarity NPD5926 Approved
0.7941 Intermediate Similarity NPD3134 Approved
0.781 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD164 Approved
0.7742 Intermediate Similarity NPD9259 Approved
0.7742 Intermediate Similarity NPD9257 Approved
0.7692 Intermediate Similarity NPD1358 Approved
0.767 Intermediate Similarity NPD9697 Approved
0.7576 Intermediate Similarity NPD1989 Approved
0.7547 Intermediate Similarity NPD5236 Approved
0.7547 Intermediate Similarity NPD5240 Approved
0.7547 Intermediate Similarity NPD5239 Approved
0.7547 Intermediate Similarity NPD5235 Approved
0.7547 Intermediate Similarity NPD5237 Approved
0.75 Intermediate Similarity NPD689 Discontinued
0.75 Intermediate Similarity NPD9716 Approved
0.7451 Intermediate Similarity NPD2549 Approved
0.7451 Intermediate Similarity NPD2555 Approved
0.7451 Intermediate Similarity NPD2558 Approved
0.7451 Intermediate Similarity NPD2553 Approved
0.7451 Intermediate Similarity NPD2552 Approved
0.7451 Intermediate Similarity NPD2550 Approved
0.7423 Intermediate Similarity NPD9256 Approved
0.7423 Intermediate Similarity NPD9258 Approved
0.7407 Intermediate Similarity NPD969 Suspended
0.7404 Intermediate Similarity NPD5909 Discontinued
0.7379 Intermediate Similarity NPD4188 Approved
0.7379 Intermediate Similarity NPD4189 Approved
0.7339 Intermediate Similarity NPD5535 Approved
0.7333 Intermediate Similarity NPD9294 Approved
0.7304 Intermediate Similarity NPD6287 Discontinued
0.7297 Intermediate Similarity NPD4198 Discontinued
0.7257 Intermediate Similarity NPD1894 Discontinued
0.7238 Intermediate Similarity NPD1237 Approved
0.7238 Intermediate Similarity NPD3046 Approved
0.7238 Intermediate Similarity NPD3047 Approved
0.7238 Intermediate Similarity NPD3048 Approved
0.7234 Intermediate Similarity NPD3971 Phase 1
0.7222 Intermediate Similarity NPD2067 Discontinued
0.7193 Intermediate Similarity NPD5585 Approved
0.7174 Intermediate Similarity NPD9490 Approved
0.7168 Intermediate Similarity NPD2347 Approved
0.7156 Intermediate Similarity NPD2201 Approved
0.7143 Intermediate Similarity NPD6647 Phase 2
0.7129 Intermediate Similarity NPD9260 Approved
0.7119 Intermediate Similarity NPD2198 Approved
0.7119 Intermediate Similarity NPD2199 Approved
0.7117 Intermediate Similarity NPD1241 Discontinued
0.7105 Intermediate Similarity NPD9545 Approved
0.7103 Intermediate Similarity NPD3524 Approved
0.7103 Intermediate Similarity NPD968 Approved
0.7103 Intermediate Similarity NPD3526 Approved
0.7103 Intermediate Similarity NPD2551 Approved
0.7103 Intermediate Similarity NPD2559 Approved
0.7087 Intermediate Similarity NPD9495 Approved
0.7071 Intermediate Similarity NPD3672 Approved
0.7071 Intermediate Similarity NPD3673 Approved
0.7065 Intermediate Similarity NPD227 Approved
0.7065 Intermediate Similarity NPD225 Approved
0.7054 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD9491 Approved
0.7043 Intermediate Similarity NPD5691 Approved
0.7025 Intermediate Similarity NPD6832 Phase 2
0.7021 Intermediate Similarity NPD9250 Approved
0.7019 Intermediate Similarity NPD7798 Approved
0.7019 Intermediate Similarity NPD2066 Phase 3
0.7009 Intermediate Similarity NPD4480 Approved
0.7 Intermediate Similarity NPD1239 Approved
0.6981 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6981 Remote Similarity NPD1929 Approved
0.6981 Remote Similarity NPD1930 Approved
0.6972 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6967 Remote Similarity NPD5454 Clinical (unspecified phase)
0.6967 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6944 Remote Similarity NPD5705 Approved
0.6944 Remote Similarity NPD5704 Approved
0.6944 Remote Similarity NPD5706 Approved
0.6937 Remote Similarity NPD1609 Clinical (unspecified phase)
0.693 Remote Similarity NPD5291 Approved
0.693 Remote Similarity NPD9493 Approved
0.693 Remote Similarity NPD694 Clinical (unspecified phase)
0.693 Remote Similarity NPD5292 Approved
0.6923 Remote Similarity NPD3496 Discontinued
0.6903 Remote Similarity NPD5951 Approved
0.6903 Remote Similarity NPD2629 Approved
0.6891 Remote Similarity NPD4359 Approved
0.687 Remote Similarity NPD5536 Phase 2
0.6864 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6863 Remote Similarity NPD1563 Approved
0.6842 Remote Similarity NPD226 Approved
0.6833 Remote Similarity NPD5667 Approved
0.6833 Remote Similarity NPD3225 Approved
0.6829 Remote Similarity NPD7008 Discontinued
0.68 Remote Similarity NPD3373 Approved
0.6796 Remote Similarity NPD688 Clinical (unspecified phase)
0.6796 Remote Similarity NPD2934 Approved
0.6796 Remote Similarity NPD2933 Approved
0.6786 Remote Similarity NPD4573 Approved
0.6786 Remote Similarity NPD4571 Approved
0.6786 Remote Similarity NPD4572 Approved
0.678 Remote Similarity NPD3847 Discontinued
0.6777 Remote Similarity NPD1203 Approved
0.6777 Remote Similarity NPD3267 Approved
0.6777 Remote Similarity NPD3266 Approved
0.6777 Remote Similarity NPD2797 Approved
0.6768 Remote Similarity NPD1087 Approved
0.6757 Remote Similarity NPD5451 Approved
0.6746 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6731 Remote Similarity NPD2860 Approved
0.6731 Remote Similarity NPD2859 Approved
0.6729 Remote Similarity NPD1932 Approved
0.6726 Remote Similarity NPD2497 Approved
0.6726 Remote Similarity NPD2496 Approved
0.6699 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6698 Remote Similarity NPD9712 Approved
0.6697 Remote Similarity NPD5048 Discontinued
0.6697 Remote Similarity NPD794 Clinical (unspecified phase)
0.6695 Remote Similarity NPD17 Approved
0.6695 Remote Similarity NPD4626 Approved
0.6695 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2988 Approved
0.6667 Remote Similarity NPD1877 Discontinued
0.6667 Remote Similarity NPD9261 Approved
0.6667 Remote Similarity NPD1564 Approved
0.6667 Remote Similarity NPD3972 Approved
0.6667 Remote Similarity NPD1565 Approved
0.6667 Remote Similarity NPD4006 Discontinued
0.6667 Remote Similarity NPD2991 Approved
0.6667 Remote Similarity NPD1566 Phase 3
0.6667 Remote Similarity NPD2684 Approved
0.664 Remote Similarity NPD2313 Discontinued
0.664 Remote Similarity NPD3764 Approved
0.6639 Remote Similarity NPD553 Approved
0.6639 Remote Similarity NPD4136 Approved
0.6639 Remote Similarity NPD4106 Approved
0.6639 Remote Similarity NPD552 Approved
0.6639 Remote Similarity NPD9567 Approved
0.6639 Remote Similarity NPD4135 Approved
0.6636 Remote Similarity NPD812 Approved
0.6636 Remote Similarity NPD810 Approved
0.6636 Remote Similarity NPD811 Approved
0.6634 Remote Similarity NPD800 Approved
0.6614 Remote Similarity NPD1933 Approved
0.6614 Remote Similarity NPD4340 Discontinued
0.6607 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6604 Remote Similarity NPD9711 Approved
0.6604 Remote Similarity NPD9710 Approved
0.66 Remote Similarity NPD4793 Discontinued
0.6585 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6585 Remote Similarity NPD1019 Discontinued
0.6583 Remote Similarity NPD1281 Approved
0.6583 Remote Similarity NPD518 Clinical (unspecified phase)
0.6583 Remote Similarity NPD1535 Discovery
0.6583 Remote Similarity NPD1611 Approved
0.6583 Remote Similarity NPD422 Phase 1
0.6579 Remote Similarity NPD5277 Phase 2
0.6577 Remote Similarity NPD290 Approved
0.6571 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6569 Remote Similarity NPD1090 Approved
0.6569 Remote Similarity NPD1089 Approved
0.6569 Remote Similarity NPD1086 Approved
0.6562 Remote Similarity NPD3528 Clinical (unspecified phase)
0.656 Remote Similarity NPD5163 Phase 2
0.656 Remote Similarity NPD6039 Approved
0.6557 Remote Similarity NPD1876 Approved
0.6555 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5306 Approved
0.6555 Remote Similarity NPD5305 Approved
0.6555 Remote Similarity NPD5126 Approved
0.6555 Remote Similarity NPD5125 Phase 3
0.6555 Remote Similarity NPD1778 Approved
0.6552 Remote Similarity NPD2557 Approved
0.6542 Remote Similarity NPD3020 Approved
0.6535 Remote Similarity NPD531 Approved
0.6535 Remote Similarity NPD4307 Phase 2
0.6529 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6529 Remote Similarity NPD1608 Approved
0.6529 Remote Similarity NPD9717 Approved
0.6529 Remote Similarity NPD1481 Phase 2
0.6522 Remote Similarity NPD5283 Phase 1
0.6514 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6514 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6508 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6508 Remote Similarity NPD6798 Discontinued
0.6508 Remote Similarity NPD3268 Approved
0.6508 Remote Similarity NPD3374 Clinical (unspecified phase)
0.65 Remote Similarity NPD1889 Phase 1
0.6496 Remote Similarity NPD5500 Discontinued
0.6496 Remote Similarity NPD3596 Phase 2
0.6495 Remote Similarity NPD942 Approved
0.6491 Remote Similarity NPD9508 Approved
0.6489 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6489 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6481 Remote Similarity NPD3028 Approved
0.6476 Remote Similarity NPD6048 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   5273469
ChEMBL   CHEMBL361197
ZINC  

Physicochemical Properties

Molecular Weight:  238.10
ALogP:  0.2816
MLogP:  3
XLogP:  7.133
# Rotatable Bonds:  5
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  18

Download Data

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