Natural Product: NPC161768

Natural Product ID:  NPC161768
Common Name:   Butyl 2-(2,4-Dichlorophenoxy)Acetate
IUPAC Name:   butyl 2-(2,4-dichlorophenoxy)acetate
Synonyms:  
Molecular Formula:   C12H14Cl2O3
Standard InCHIKey:  UQMRAFJOBWOFNS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3
Canonical SMILES:  CCCCOC(=O)COc1ccc(cc1Cl)Cl
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
NPO20553 Zingiber officinale Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT50 Individual Protein Tyrosyl-DNA phosphodiesterase 1 Homo sapiens Potency = 50118.7 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 39810.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency = 730.8 nM PubChem BioAssay data set
NPT864 Individual Protein Lethal(3)malignant brain tumor-like protein 1 Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT532 Individual Protein Lysine-specific demethylase 4A Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT63 Individual Protein Bromodomain adjacent to zinc finger domain protein 2B Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 16511.3 nM PubChem BioAssay data set
NPT135 Individual Protein Chromobox protein homolog 1 Homo sapiens Potency 79432.8 nM PubChem BioAssay data set
NPT98 Individual Protein HERG Homo sapiens Potency 50118.7 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 5858.4 nM PubChem BioAssay data set
NPT484 Individual Protein Luciferin 4-monooxygenase Photinus pyralis Potency 33807.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61652.4 nM PubChem BioAssay data set
NPT161 Individual Protein Rap guanine nucleotide exchange factor 4 Homo sapiens Potency 22387.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15670.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3467 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25118.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 22134.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 5494.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12333.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68589.6 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 49553.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19547.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24336.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 69357.6 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 NPC161768 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
0.9554 High Similarity NPC204617
0.7946 Intermediate Similarity NPC132725
0.776 Intermediate Similarity NPC205213
0.7759 Intermediate Similarity NPC17537
0.75 Intermediate Similarity NPC90577
0.7385 Intermediate Similarity NPC235370
0.7168 Intermediate Similarity NPC318429
0.7113 Intermediate Similarity NPC182475
0.7105 Intermediate Similarity NPC322888
0.7099 Intermediate Similarity NPC151237
0.7083 Intermediate Similarity NPC283546
0.7034 Intermediate Similarity NPC307039
0.7025 Intermediate Similarity NPC128730
0.7025 Intermediate Similarity NPC473855
0.7015 Intermediate Similarity NPC8058
0.6993 Remote Similarity NPC142803
0.6985 Remote Similarity NPC246991
0.698 Remote Similarity NPC282294
0.6975 Remote Similarity NPC107101
0.6967 Remote Similarity NPC176971
0.6957 Remote Similarity NPC66643
0.6917 Remote Similarity NPC307425
0.6911 Remote Similarity NPC151530
0.6911 Remote Similarity NPC157473
0.6903 Remote Similarity NPC206876
0.6901 Remote Similarity NPC86087
0.686 Remote Similarity NPC179686
0.6855 Remote Similarity NPC291837
0.6842 Remote Similarity NPC27198
0.6835 Remote Similarity NPC139335
0.6825 Remote Similarity NPC245552
0.6789 Remote Similarity NPC124576
0.6786 Remote Similarity NPC125306
0.6786 Remote Similarity NPC23837
0.675 Remote Similarity NPC314803
0.6748 Remote Similarity NPC473393
0.6748 Remote Similarity NPC238115
0.6746 Remote Similarity NPC88868
0.6746 Remote Similarity NPC231251
0.6746 Remote Similarity NPC25067
0.6719 Remote Similarity NPC303522
0.6714 Remote Similarity NPC273984
0.6694 Remote Similarity NPC326447
0.6694 Remote Similarity NPC41594
0.6667 Remote Similarity NPC109637
0.6667 Remote Similarity NPC149545
0.6641 Remote Similarity NPC266116
0.6591 Remote Similarity NPC159916
0.6591 Remote Similarity NPC101503
0.6583 Remote Similarity NPC325499
0.6544 Remote Similarity NPC320287
0.6541 Remote Similarity NPC37858
0.6538 Remote Similarity NPC235250
0.6535 Remote Similarity NPC259554
0.6532 Remote Similarity NPC2518
0.6529 Remote Similarity NPC313918
0.6525 Remote Similarity NPC193334
0.6525 Remote Similarity NPC174048
0.6508 Remote Similarity NPC194034
0.6508 Remote Similarity NPC258171
0.6508 Remote Similarity NPC175931
0.6504 Remote Similarity NPC51633
0.65 Remote Similarity NPC49315
0.6496 Remote Similarity NPC302546
0.6491 Remote Similarity NPC38459
0.6484 Remote Similarity NPC229387
0.648 Remote Similarity NPC139891
0.648 Remote Similarity NPC227255
0.648 Remote Similarity NPC288760
0.6479 Remote Similarity NPC76453
0.6475 Remote Similarity NPC471576
0.6466 Remote Similarity NPC124916
0.6452 Remote Similarity NPC192596
0.6444 Remote Similarity NPC267064
0.6429 Remote Similarity NPC1065
0.6423 Remote Similarity NPC13755
0.6417 Remote Similarity NPC114325
0.6412 Remote Similarity NPC87563
0.641 Remote Similarity NPC157213
0.641 Remote Similarity NPC47422
0.6408 Remote Similarity NPC11173
0.64 Remote Similarity NPC38079
0.64 Remote Similarity NPC108875
0.6397 Remote Similarity NPC14287
0.6393 Remote Similarity NPC95755
0.6393 Remote Similarity NPC175298
0.6385 Remote Similarity NPC280760
0.6375 Remote Similarity NPC151030
0.6375 Remote Similarity NPC269383
0.6371 Remote Similarity NPC84325
0.6357 Remote Similarity NPC46844
0.6356 Remote Similarity NPC259134
0.6356 Remote Similarity NPC99886
0.6356 Remote Similarity NPC8002
0.6356 Remote Similarity NPC177844
0.6349 Remote Similarity NPC470393
0.6343 Remote Similarity NPC293424
0.6343 Remote Similarity NPC277460
0.6341 Remote Similarity NPC171843
0.6338 Remote Similarity NPC30390
0.6331 Remote Similarity NPC52035
0.6319 Remote Similarity NPC2363
0.6316 Remote Similarity NPC128633
0.6308 Remote Similarity NPC55300
0.6308 Remote Similarity NPC233238
0.6304 Remote Similarity NPC279379
0.6304 Remote Similarity NPC21238
0.6303 Remote Similarity NPC71853
0.6299 Remote Similarity NPC473653
0.6296 Remote Similarity NPC98748
0.6296 Remote Similarity NPC281356
0.6296 Remote Similarity NPC234956
0.6288 Remote Similarity NPC294941
0.6279 Remote Similarity NPC234639
0.6277 Remote Similarity NPC272487
0.626 Remote Similarity NPC115379
0.626 Remote Similarity NPC165646
0.625 Remote Similarity NPC31314
0.625 Remote Similarity NPC193193
0.625 Remote Similarity NPC321956
0.625 Remote Similarity NPC473290
0.625 Remote Similarity NPC471504
0.625 Remote Similarity NPC202474
0.625 Remote Similarity NPC67791
0.6242 Remote Similarity NPC56379
0.624 Remote Similarity NPC12714
0.624 Remote Similarity NPC310905
0.6231 Remote Similarity NPC473809
0.6231 Remote Similarity NPC141068
0.6231 Remote Similarity NPC179309
0.6228 Remote Similarity NPC86678
0.6222 Remote Similarity NPC265547
0.6222 Remote Similarity NPC152159
0.6222 Remote Similarity NPC96705
0.622 Remote Similarity NPC8302
0.6214 Remote Similarity NPC170749
0.6212 Remote Similarity NPC90903
0.621 Remote Similarity NPC100870
0.6207 Remote Similarity NPC33756
0.6204 Remote Similarity NPC180006
0.6204 Remote Similarity NPC235190
0.6204 Remote Similarity NPC163200
0.6204 Remote Similarity NPC322569
0.6204 Remote Similarity NPC204466
0.6197 Remote Similarity NPC110313
0.6194 Remote Similarity NPC470860
0.6194 Remote Similarity NPC33717
0.619 Remote Similarity NPC304638
0.619 Remote Similarity NPC298224
0.6187 Remote Similarity NPC470887
0.6176 Remote Similarity NPC298796
0.617 Remote Similarity NPC127604
0.617 Remote Similarity NPC329272
0.6165 Remote Similarity NPC292036
0.6165 Remote Similarity NPC142319
0.6165 Remote Similarity NPC252004
0.6159 Remote Similarity NPC70752
0.6159 Remote Similarity NPC114845
0.6159 Remote Similarity NPC193484
0.6148 Remote Similarity NPC212643
0.6148 Remote Similarity NPC217423
0.6148 Remote Similarity NPC199209
0.6148 Remote Similarity NPC471498
0.6148 Remote Similarity NPC16649
0.6148 Remote Similarity NPC471581
0.6148 Remote Similarity NPC471503
0.6148 Remote Similarity NPC45104
0.6143 Remote Similarity NPC33402
0.6142 Remote Similarity NPC292792
0.6142 Remote Similarity NPC38209
0.6136 Remote Similarity NPC199462
0.6131 Remote Similarity NPC2058
0.6131 Remote Similarity NPC230951
0.6124 Remote Similarity NPC227894
0.6119 Remote Similarity NPC51345
0.6119 Remote Similarity NPC244403
0.6119 Remote Similarity NPC296526
0.6115 Remote Similarity NPC291189
0.6115 Remote Similarity NPC69403
0.6115 Remote Similarity NPC288238
0.6108 Remote Similarity NPC134413
0.6108 Remote Similarity NPC263507
0.6108 Remote Similarity NPC271958
0.6108 Remote Similarity NPC45112
0.6107 Remote Similarity NPC258837
0.6107 Remote Similarity NPC72636
0.6107 Remote Similarity NPC95977
0.6107 Remote Similarity NPC45134
0.6103 Remote Similarity NPC137537
0.6103 Remote Similarity NPC205502
0.6103 Remote Similarity NPC70744
0.6103 Remote Similarity NPC272471
0.6103 Remote Similarity NPC164706
0.6103 Remote Similarity NPC107588
0.6103 Remote Similarity NPC152306
0.6094 Remote Similarity NPC127676
0.6094 Remote Similarity NPC307875
0.609 Remote Similarity NPC301735
0.609 Remote Similarity NPC311987
0.609 Remote Similarity NPC109241

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC161768 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
0.9018 High Similarity NPD769 Approved
0.8142 Intermediate Similarity NPD9501 Approved
0.7967 Intermediate Similarity NPD1010 Approved
0.7931 Intermediate Similarity NPD9552 Approved
0.7769 Intermediate Similarity NPD2598 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD915 Approved
0.7705 Intermediate Similarity NPD9685 Approved
0.7561 Intermediate Similarity NPD191 Approved
0.7537 Intermediate Similarity NPD1184 Approved
0.7481 Intermediate Similarity NPD454 Approved
0.7168 Intermediate Similarity NPD9365 Approved
0.7123 Intermediate Similarity NPD957 Approved
0.7068 Intermediate Similarity NPD987 Approved
0.698 Remote Similarity NPD958 Approved
0.6972 Remote Similarity NPD4534 Discontinued
0.695 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6911 Remote Similarity NPD1358 Approved
0.6853 Remote Similarity NPD5958 Discontinued
0.6828 Remote Similarity NPD3887 Approved
0.6815 Remote Similarity NPD9549 Phase 2
0.6783 Remote Similarity NPD2353 Approved
0.6783 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6777 Remote Similarity NPD291 Approved
0.6694 Remote Similarity NPD3134 Approved
0.669 Remote Similarity NPD1338 Clinical (unspecified phase)
0.6689 Remote Similarity NPD4972 Discontinued
0.6667 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6599 Remote Similarity NPD2354 Approved
0.6575 Remote Similarity NPD1416 Approved
0.6552 Remote Similarity NPD469 Approved
0.6552 Remote Similarity NPD470 Approved
0.6544 Remote Similarity NPD4359 Approved
0.6535 Remote Similarity NPD556 Approved
0.6508 Remote Similarity NPD290 Approved
0.6491 Remote Similarity NPD9073 Approved
0.648 Remote Similarity NPD9697 Approved
0.6475 Remote Similarity NPD1285 Clinical (unspecified phase)
0.6463 Remote Similarity NPD4487 Clinical (unspecified phase)
0.6457 Remote Similarity NPD2684 Approved
0.6429 Remote Similarity NPD3274 Phase 2
0.6417 Remote Similarity NPD9296 Approved
0.6414 Remote Similarity NPD3260 Discontinued
0.641 Remote Similarity NPD9295 Approved
0.6387 Remote Similarity NPD4018 Clinical (unspecified phase)
0.6385 Remote Similarity NPD5535 Approved
0.637 Remote Similarity NPD5846 Approved
0.637 Remote Similarity NPD6516 Phase 2
0.6358 Remote Similarity NPD7498 Phase 1
0.6358 Remote Similarity NPD7499 Phase 1
0.6346 Remote Similarity NPD3465 Clinical (unspecified phase)
0.6338 Remote Similarity NPD1048 Approved
0.6338 Remote Similarity NPD6798 Discontinued
0.6316 Remote Similarity NPD694 Clinical (unspecified phase)
0.6299 Remote Similarity NPD1901 Discontinued
0.6296 Remote Similarity NPD5585 Approved
0.6294 Remote Similarity NPD4062 Phase 3
0.6294 Remote Similarity NPD6233 Phase 2
0.6279 Remote Similarity NPD5451 Approved
0.6279 Remote Similarity NPD910 Approved
0.626 Remote Similarity NPD7843 Approved
0.625 Remote Similarity NPD1578 Phase 2
0.625 Remote Similarity NPD1778 Approved
0.625 Remote Similarity NPD4060 Phase 1
0.6233 Remote Similarity NPD4536 Approved
0.6233 Remote Similarity NPD4538 Approved
0.6233 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6212 Remote Similarity NPD1241 Discontinued
0.6207 Remote Similarity NPD6355 Discontinued
0.6204 Remote Similarity NPD3496 Discontinued
0.6172 Remote Similarity NPD968 Approved
0.617 Remote Similarity NPD5647 Approved
0.6154 Remote Similarity NPD7095 Approved
0.6138 Remote Similarity NPD3463 Discontinued
0.6124 Remote Similarity NPD5374 Approved
0.6124 Remote Similarity NPD9624 Approved
0.6124 Remote Similarity NPD5373 Approved
0.6119 Remote Similarity NPD7157 Approved
0.6108 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6107 Remote Similarity NPD2671 Approved
0.6107 Remote Similarity NPD2673 Approved
0.6104 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6103 Remote Similarity NPD1894 Discontinued
0.6096 Remote Similarity NPD4340 Discontinued
0.6081 Remote Similarity NPD5588 Approved
0.6081 Remote Similarity NPD5960 Phase 3
0.6071 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6058 Remote Similarity NPD5691 Approved
0.6045 Remote Similarity NPD911 Approved
0.6029 Remote Similarity NPD1102 Approved
0.6029 Remote Similarity NPD1103 Approved
0.6029 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6023 Remote Similarity NPD1163 Approved
0.6015 Remote Similarity NPD821 Approved
0.6014 Remote Similarity NPD17 Approved
0.6013 Remote Similarity NPD5058 Phase 3
0.6 Remote Similarity NPD2403 Approved
0.6 Remote Similarity NPD5762 Approved
0.6 Remote Similarity NPD5763 Approved
0.5987 Remote Similarity NPD4535 Phase 3
0.5986 Remote Similarity NPD6362 Approved
0.5985 Remote Similarity NPD7533 Approved
0.5985 Remote Similarity NPD7534 Approved
0.596 Remote Similarity NPD2170 Clinical (unspecified phase)
0.596 Remote Similarity NPD2897 Discontinued
0.5957 Remote Similarity NPD6543 Approved
0.5957 Remote Similarity NPD6539 Approved
0.5957 Remote Similarity NPD6540 Phase 3
0.5957 Remote Similarity NPD6542 Approved
0.5944 Remote Similarity NPD1019 Discontinued
0.5942 Remote Similarity NPD1798 Approved
0.5942 Remote Similarity NPD1797 Approved
0.5929 Remote Similarity NPD1611 Approved
0.5929 Remote Similarity NPD422 Phase 1
0.5915 Remote Similarity NPD6538 Approved
0.5915 Remote Similarity NPD6541 Approved
0.5893 Remote Similarity NPD5095 Phase 3
0.5893 Remote Similarity NPD5096 Phase 3
0.5887 Remote Similarity NPD9717 Approved
0.5887 Remote Similarity NPD1608 Approved
0.5882 Remote Similarity NPD3367 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6832 Phase 2
0.5855 Remote Similarity NPD2030 Discontinued
0.5839 Remote Similarity NPD6653 Approved
0.5822 Remote Similarity NPD5163 Phase 2
0.5822 Remote Similarity NPD5746 Approved
0.5821 Remote Similarity NPD228 Approved
0.5816 Remote Similarity NPD1535 Discovery
0.5816 Remote Similarity NPD1091 Approved
0.5816 Remote Similarity NPD776 Approved
0.5814 Remote Similarity NPD9500 Approved
0.58 Remote Similarity NPD7097 Phase 1
0.58 Remote Similarity NPD4978 Clinical (unspecified phase)
0.5799 Remote Similarity NPD3933 Discontinued
0.5797 Remote Similarity NPD5536 Phase 2
0.5797 Remote Similarity NPD254 Approved
0.5797 Remote Similarity NPD9092 Discovery
0.5793 Remote Similarity NPD2237 Approved
0.5789 Remote Similarity NPD2376 Approved
0.5789 Remote Similarity NPD2377 Approved
0.5789 Remote Similarity NPD2378 Approved
0.5787 Remote Similarity NPD6312 Discontinued
0.5786 Remote Similarity NPD4626 Approved
0.5782 Remote Similarity NPD6859 Clinical (unspecified phase)
0.5782 Remote Similarity NPD3374 Clinical (unspecified phase)
0.5775 Remote Similarity NPD1481 Phase 2
0.5774 Remote Similarity NPD3366 Approved
0.5772 Remote Similarity NPD1933 Approved
0.5769 Remote Similarity NPD6799 Approved
0.5766 Remote Similarity NPD2557 Approved
0.5765 Remote Similarity NPD3885 Approved
0.5764 Remote Similarity NPD3266 Approved
0.5764 Remote Similarity NPD1049 Clinical (unspecified phase)
0.5764 Remote Similarity NPD2797 Approved
0.5764 Remote Similarity NPD3827 Clinical (unspecified phase)
0.5764 Remote Similarity NPD3267 Approved
0.5762 Remote Similarity NPD2164 Clinical (unspecified phase)
0.5756 Remote Similarity NPD3936 Clinical (unspecified phase)
0.575 Remote Similarity NPD1714 Approved
0.575 Remote Similarity NPD1715 Phase 1
0.5745 Remote Similarity NPD155 Clinical (unspecified phase)
0.5745 Remote Similarity NPD3447 Discontinued
0.5745 Remote Similarity NPD3847 Discontinued
0.5743 Remote Similarity NPD5745 Approved
0.5743 Remote Similarity NPD4870 Approved
0.5735 Remote Similarity NPD592 Approved
0.5735 Remote Similarity NPD5283 Phase 1
0.5735 Remote Similarity NPD594 Approved
0.5732 Remote Similarity NPD3688 Clinical (unspecified phase)
0.5732 Remote Similarity NPD3146 Approved
0.5732 Remote Similarity NPD3536 Discontinued
0.5732 Remote Similarity NPD7446 Clinical (unspecified phase)
0.5725 Remote Similarity NPD3596 Phase 2
0.5724 Remote Similarity NPD2239 Approved
0.5724 Remote Similarity NPD2240 Approved
0.5724 Remote Similarity NPD6032 Approved
0.5714 Remote Similarity NPD4424 Discontinued
0.5714 Remote Similarity NPD1357 Approved
0.5705 Remote Similarity NPD756 Suspended
0.5705 Remote Similarity NPD4140 Approved
0.5705 Remote Similarity NPD6815 Approved
0.5704 Remote Similarity NPD1281 Approved
0.5704 Remote Similarity NPD1547 Clinical (unspecified phase)
0.5694 Remote Similarity NPD3225 Approved
0.5693 Remote Similarity NPD1476 Clinical (unspecified phase)
0.5686 Remote Similarity NPD3656 Approved
0.5674 Remote Similarity NPD2423 Clinical (unspecified phase)
0.5672 Remote Similarity NPD2067 Discontinued
0.5667 Remote Similarity NPD447 Suspended
0.5667 Remote Similarity NPD4618 Approved
0.5667 Remote Similarity NPD4622 Approved
0.5667 Remote Similarity NPD1899 Clinical (unspecified phase)
0.5655 Remote Similarity NPD1818 Approved
0.5655 Remote Similarity NPD1820 Approved
0.5655 Remote Similarity NPD1819 Approved
0.5655 Remote Similarity NPD1203 Approved
0.5655 Remote Similarity NPD1794 Approved
0.5655 Remote Similarity NPD1817 Approved
0.5652 Remote Similarity NPD6671 Approved
0.5649 Remote Similarity NPD2808 Discontinued
0.5646 Remote Similarity NPD1008 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   7206
ChEMBL   CHEMBL1446511
ZINC  

Physicochemical Properties

Molecular Weight:  276.03
ALogP:  0.5285
MLogP:  2.23
XLogP:  3.597
# Rotatable Bonds:  10
Polar Surface Area:  35.53
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  17

Download Data

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