Natural Product: NPC470860

Natural Product ID:  NPC470860
Common Name:   4-(Acetate)Acetophenone
IUPAC Name:   (4-acetylphenyl) acetate
Synonyms:  
Molecular Formula:   C10H10O3
Standard InCHIKey:  SMIOEQSLJNNKQF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H10O3/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-6H,1-2H3
Canonical SMILES:  CC(=O)Oc1ccc(cc1)C(=O)C
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
NPO32889 baccharis sp. Species Asteraceae Eukaryota PMID[11929285]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT596 Organism Lolium multiflorum Lolium multiflorum Inhibition = 100 % 21493075
NPT596 Organism Lolium multiflorum Lolium multiflorum IC50 = 75500 nM 12762807
NPT2 Others Unspecified Potency 64157.2 nM 24491225
NPT596 Organism Lolium multiflorum Lolium multiflorum IC50 = 77300 nM 23806110
NPT2 Others Unspecified Potency 255.4 nM 11720542
NPT2 Others Unspecified Potency 4542 nM 17125241
NPT594 Organism Trifolium pratense Trifolium pratense IC50 = 221300 nM 22194678
NPT596 Organism Lolium multiflorum Lolium multiflorum Inhibition = 30 % 23795891
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 50961.9 nM 20402524
NPT364 Organism Lactuca sativa Lactuca sativa Inhibition = 30 % 15913998
NPT594 Organism Trifolium pratense Trifolium pratense IC50 = 234000 nM 10998351
NPT364 Organism Lactuca sativa Lactuca sativa GI50 = 41000 nM DrugMatrix in vitro pharmacology data
NPT364 Organism Lactuca sativa Lactuca sativa IC50 = 38900 nM 23398362
NPT2 Others Unspecified Potency 5096.2 nM 9644070
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 5718 nM 11000027
NPT2 Others Unspecified Potency 1008.4 nM 9514009
NPT594 Organism Trifolium pratense Trifolium pratense GI50 = 233200 nM 19615900
NPT364 Organism Lactuca sativa Lactuca sativa Inhibition = 100 % DrugMatrix in vitro pharmacology data
NPT596 Organism Lolium multiflorum Lolium multiflorum GI50 = 75300 nM Open TG-GATES in vivo data: Hematology
NPT364 Organism Lactuca sativa Lactuca sativa IC50 = 39100 nM 14695799

  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 NPC470860 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
0.9266 High Similarity NPC183648
0.9182 High Similarity NPC23332
0.9174 High Similarity NPC259554
0.9107 High Similarity NPC252004
0.9027 High Similarity NPC220540
0.8898 High Similarity NPC291189
0.8898 High Similarity NPC69403
0.8839 High Similarity NPC57879
0.875 High Similarity NPC221798
0.8727 High Similarity NPC1065
0.8718 High Similarity NPC61779
0.8707 High Similarity NPC469954
0.8704 High Similarity NPC307425
0.8699 High Similarity NPC170546
0.8699 High Similarity NPC66246
0.8678 High Similarity NPC165556
0.8673 High Similarity NPC233238
0.8667 High Similarity NPC141252
0.8667 High Similarity NPC11799
0.8644 High Similarity NPC230951
0.8636 High Similarity NPC128730
0.8632 High Similarity NPC293424
0.8629 High Similarity NPC282230
0.8629 High Similarity NPC183348
0.8611 High Similarity NPC107101
0.8607 High Similarity NPC475236
0.8595 High Similarity NPC107846
0.856 High Similarity NPC470976
0.856 High Similarity NPC15083
0.856 High Similarity NPC470977
0.856 High Similarity NPC196979
0.8559 High Similarity NPC264976
0.8559 High Similarity NPC176971
0.8545 High Similarity NPC38209
0.8537 High Similarity NPC37512
0.8525 High Similarity NPC470858
0.8496 Intermediate Similarity NPC234639
0.8482 Intermediate Similarity NPC157473
0.8482 Intermediate Similarity NPC151530
0.848 Intermediate Similarity NPC109778
0.8468 Intermediate Similarity NPC2401
0.8455 Intermediate Similarity NPC179686
0.8455 Intermediate Similarity NPC298224
0.8455 Intermediate Similarity NPC237868
0.843 Intermediate Similarity NPC311219
0.8417 Intermediate Similarity NPC225245
0.84 Intermediate Similarity NPC473019
0.839 Intermediate Similarity NPC45104
0.839 Intermediate Similarity NPC217423
0.8387 Intermediate Similarity NPC293387
0.8378 Intermediate Similarity NPC283546
0.8376 Intermediate Similarity NPC188907
0.8333 Intermediate Similarity NPC86774
0.8333 Intermediate Similarity NPC327457
0.832 Intermediate Similarity NPC2596
0.8319 Intermediate Similarity NPC27633
0.8319 Intermediate Similarity NPC32298
0.8319 Intermediate Similarity NPC94298
0.8305 Intermediate Similarity NPC131192
0.8304 Intermediate Similarity NPC473855
0.8304 Intermediate Similarity NPC473393
0.8293 Intermediate Similarity NPC89630
0.8257 Intermediate Similarity NPC175298
0.8254 Intermediate Similarity NPC939
0.825 Intermediate Similarity NPC54243
0.825 Intermediate Similarity NPC35744
0.8244 Intermediate Similarity NPC103001
0.8244 Intermediate Similarity NPC253616
0.8235 Intermediate Similarity NPC240664
0.823 Intermediate Similarity NPC326447
0.823 Intermediate Similarity NPC6984
0.8226 Intermediate Similarity NPC473626
0.8226 Intermediate Similarity NPC2771
0.8226 Intermediate Similarity NPC52035
0.822 Intermediate Similarity NPC51345
0.8214 Intermediate Similarity NPC2518
0.8214 Intermediate Similarity NPC109637
0.8211 Intermediate Similarity NPC474691
0.8205 Intermediate Similarity NPC109241
0.819 Intermediate Similarity NPC54626
0.8182 Intermediate Similarity NPC474874
0.8182 Intermediate Similarity NPC36414
0.8168 Intermediate Similarity NPC268081
0.816 Intermediate Similarity NPC154275
0.8158 Intermediate Similarity NPC226699
0.8154 Intermediate Similarity NPC66705
0.8151 Intermediate Similarity NPC316062
0.8142 Intermediate Similarity NPC139891
0.8125 Intermediate Similarity NPC104854
0.8125 Intermediate Similarity NPC125153
0.812 Intermediate Similarity NPC136095
0.8115 Intermediate Similarity NPC295317
0.8103 Intermediate Similarity NPC231251
0.8103 Intermediate Similarity NPC25067
0.8103 Intermediate Similarity NPC88868
0.8095 Intermediate Similarity NPC286683
0.8095 Intermediate Similarity NPC49852
0.8095 Intermediate Similarity NPC121104
0.8095 Intermediate Similarity NPC475496
0.8087 Intermediate Similarity NPC291837
0.808 Intermediate Similarity NPC65041
0.8067 Intermediate Similarity NPC322358
0.8065 Intermediate Similarity NPC472888
0.8062 Intermediate Similarity NPC284424
0.8062 Intermediate Similarity NPC470859
0.806 Intermediate Similarity NPC470856
0.8051 Intermediate Similarity NPC53953
0.8051 Intermediate Similarity NPC279916
0.8049 Intermediate Similarity NPC314329
0.8045 Intermediate Similarity NPC473988
0.8033 Intermediate Similarity NPC246214
0.8033 Intermediate Similarity NPC470092
0.8031 Intermediate Similarity NPC473907
0.8031 Intermediate Similarity NPC50583
0.8031 Intermediate Similarity NPC125887
0.803 Intermediate Similarity NPC472516
0.8017 Intermediate Similarity NPC95172
0.8017 Intermediate Similarity NPC206007
0.8017 Intermediate Similarity NPC171023
0.8017 Intermediate Similarity NPC152159
0.8016 Intermediate Similarity NPC474476
0.8016 Intermediate Similarity NPC177925
0.8 Intermediate Similarity NPC55147
0.8 Intermediate Similarity NPC19290
0.8 Intermediate Similarity NPC254010
0.8 Intermediate Similarity NPC229646
0.8 Intermediate Similarity NPC184219
0.8 Intermediate Similarity NPC66158
0.8 Intermediate Similarity NPC30216
0.7985 Intermediate Similarity NPC262635
0.7985 Intermediate Similarity NPC472515
0.7984 Intermediate Similarity NPC67300
0.7984 Intermediate Similarity NPC279596
0.7982 Intermediate Similarity NPC209632
0.7982 Intermediate Similarity NPC238115
0.797 Intermediate Similarity NPC332594
0.7969 Intermediate Similarity NPC473894
0.7969 Intermediate Similarity NPC238309
0.7966 Intermediate Similarity NPC17693
0.7955 Intermediate Similarity NPC294470
0.7953 Intermediate Similarity NPC16651
0.7953 Intermediate Similarity NPC32163
0.7953 Intermediate Similarity NPC22783
0.7949 Intermediate Similarity NPC473809
0.7946 Intermediate Similarity NPC13755
0.7941 Intermediate Similarity NPC313036
0.7939 Intermediate Similarity NPC292998
0.7939 Intermediate Similarity NPC311339
0.7937 Intermediate Similarity NPC224657
0.7931 Intermediate Similarity NPC17525
0.7926 Intermediate Similarity NPC474037
0.7923 Intermediate Similarity NPC278556
0.7923 Intermediate Similarity NPC175159
0.792 Intermediate Similarity NPC473942
0.792 Intermediate Similarity NPC93730
0.7913 Intermediate Similarity NPC30594
0.7913 Intermediate Similarity NPC184658
0.7913 Intermediate Similarity NPC37622
0.7907 Intermediate Similarity NPC285776
0.7907 Intermediate Similarity NPC42292
0.7907 Intermediate Similarity NPC307732
0.7907 Intermediate Similarity NPC298268
0.7899 Intermediate Similarity NPC11824
0.7899 Intermediate Similarity NPC303522
0.7895 Intermediate Similarity NPC114594
0.7891 Intermediate Similarity NPC186098
0.7891 Intermediate Similarity NPC80694
0.7881 Intermediate Similarity NPC245552
0.7879 Intermediate Similarity NPC125269
0.7874 Intermediate Similarity NPC110211
0.7874 Intermediate Similarity NPC474737
0.7874 Intermediate Similarity NPC204579
0.7869 Intermediate Similarity NPC166591
0.7869 Intermediate Similarity NPC21831
0.7869 Intermediate Similarity NPC124916
0.7869 Intermediate Similarity NPC187547
0.7869 Intermediate Similarity NPC96705
0.7869 Intermediate Similarity NPC152306
0.7869 Intermediate Similarity NPC265547
0.7863 Intermediate Similarity NPC473655
0.7863 Intermediate Similarity NPC149545
0.7863 Intermediate Similarity NPC287533
0.7863 Intermediate Similarity NPC54503
0.7863 Intermediate Similarity NPC101294
0.7857 Intermediate Similarity NPC193805
0.7857 Intermediate Similarity NPC255073
0.7857 Intermediate Similarity NPC325497
0.7852 Intermediate Similarity NPC473209
0.7852 Intermediate Similarity NPC254994
0.7851 Intermediate Similarity NPC33717
0.7846 Intermediate Similarity NPC301717
0.7846 Intermediate Similarity NPC5515
0.7846 Intermediate Similarity NPC472517
0.7846 Intermediate Similarity NPC270369
0.7845 Intermediate Similarity NPC29883
0.7838 Intermediate Similarity NPC92754
0.7838 Intermediate Similarity NPC276775
0.7838 Intermediate Similarity NPC249912
0.7836 Intermediate Similarity NPC207516
0.7836 Intermediate Similarity NPC38153

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470860 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
0.885 High Similarity NPD1241 Discontinued
0.843 Intermediate Similarity NPD9717 Approved
0.8319 Intermediate Similarity NPD9545 Approved
0.8279 Intermediate Similarity NPD3972 Approved
0.823 Intermediate Similarity NPD3134 Approved
0.8182 Intermediate Similarity NPD17 Approved
0.8175 Intermediate Similarity NPD6832 Phase 2
0.816 Intermediate Similarity NPD1019 Discontinued
0.8158 Intermediate Similarity NPD1358 Approved
0.8142 Intermediate Similarity NPD9697 Approved
0.8106 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.8106 Intermediate Similarity NPD2353 Approved
0.808 Intermediate Similarity NPD3266 Approved
0.808 Intermediate Similarity NPD3267 Approved
0.808 Intermediate Similarity NPD1203 Approved
0.8062 Intermediate Similarity NPD3140 Approved
0.8062 Intermediate Similarity NPD3142 Approved
0.8049 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7985 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7985 Intermediate Similarity NPD1243 Approved
0.7984 Intermediate Similarity NPD1608 Approved
0.7966 Intermediate Similarity NPD5535 Approved
0.7955 Intermediate Similarity NPD2799 Discontinued
0.7923 Intermediate Similarity NPD4307 Phase 2
0.7869 Intermediate Similarity NPD1894 Discontinued
0.7868 Intermediate Similarity NPD3887 Approved
0.7868 Intermediate Similarity NPD2354 Approved
0.7857 Intermediate Similarity NPD1876 Approved
0.7845 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD1481 Phase 2
0.782 Intermediate Similarity NPD3748 Approved
0.7795 Intermediate Similarity NPD2797 Approved
0.7794 Intermediate Similarity NPD4628 Phase 3
0.7769 Intermediate Similarity NPD2313 Discontinued
0.7769 Intermediate Similarity NPD3268 Approved
0.7769 Intermediate Similarity NPD411 Approved
0.7761 Intermediate Similarity NPD2796 Approved
0.776 Intermediate Similarity NPD1535 Discovery
0.7754 Intermediate Similarity NPD6799 Approved
0.7727 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD447 Suspended
0.7705 Intermediate Similarity NPD9493 Approved
0.7704 Intermediate Similarity NPD2344 Approved
0.7687 Intermediate Similarity NPD4308 Phase 3
0.7681 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7674 Intermediate Similarity NPD9494 Approved
0.7652 Intermediate Similarity NPD1240 Approved
0.7634 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD1296 Phase 2
0.7619 Intermediate Similarity NPD422 Phase 1
0.7619 Intermediate Similarity NPD1281 Approved
0.7597 Intermediate Similarity NPD2798 Approved
0.7594 Intermediate Similarity NPD1933 Approved
0.7589 Intermediate Similarity NPD920 Approved
0.7583 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD8032 Phase 2
0.7571 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD1238 Approved
0.7538 Intermediate Similarity NPD454 Approved
0.7537 Intermediate Similarity NPD1607 Approved
0.7536 Intermediate Similarity NPD3750 Approved
0.7535 Intermediate Similarity NPD957 Approved
0.7518 Intermediate Similarity NPD2186 Approved
0.7518 Intermediate Similarity NPD1549 Phase 2
0.75 Intermediate Similarity NPD9261 Approved
0.7482 Intermediate Similarity NPD2309 Approved
0.7481 Intermediate Similarity NPD2614 Approved
0.746 Intermediate Similarity NPD1778 Approved
0.7445 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD1471 Phase 3
0.7445 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD2346 Discontinued
0.7442 Intermediate Similarity NPD3225 Approved
0.7442 Intermediate Similarity NPD1283 Approved
0.7436 Intermediate Similarity NPD164 Approved
0.7431 Intermediate Similarity NPD6599 Discontinued
0.7394 Intermediate Similarity NPD6273 Approved
0.7391 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD5691 Approved
0.7381 Intermediate Similarity NPD1651 Approved
0.7381 Intermediate Similarity NPD5585 Approved
0.7379 Intermediate Similarity NPD7411 Suspended
0.7379 Intermediate Similarity NPD958 Approved
0.7372 Intermediate Similarity NPD2935 Discontinued
0.7368 Intermediate Similarity NPD6798 Discontinued
0.736 Intermediate Similarity NPD5536 Phase 2
0.7355 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD2684 Approved
0.7333 Intermediate Similarity NPD2182 Approved
0.7313 Intermediate Similarity NPD6233 Phase 2
0.7313 Intermediate Similarity NPD4062 Phase 3
0.7305 Intermediate Similarity NPD7440 Discontinued
0.7299 Intermediate Similarity NPD1510 Phase 2
0.7279 Intermediate Similarity NPD7819 Suspended
0.7279 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD5049 Phase 3
0.7266 Intermediate Similarity NPD3847 Discontinued
0.7266 Intermediate Similarity NPD3496 Discontinued
0.7258 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD9267 Approved
0.725 Intermediate Similarity NPD9264 Approved
0.725 Intermediate Similarity NPD9263 Approved
0.7248 Intermediate Similarity NPD9257 Approved
0.7248 Intermediate Similarity NPD9259 Approved
0.7246 Intermediate Similarity NPD1551 Phase 2
0.7241 Intermediate Similarity NPD3226 Approved
0.7239 Intermediate Similarity NPD3764 Approved
0.7226 Intermediate Similarity NPD743 Approved
0.7222 Intermediate Similarity NPD5586 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD6801 Discontinued
0.7206 Intermediate Similarity NPD230 Phase 1
0.7206 Intermediate Similarity NPD6355 Discontinued
0.7203 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD919 Approved
0.7197 Intermediate Similarity NPD5647 Approved
0.719 Intermediate Similarity NPD74 Approved
0.719 Intermediate Similarity NPD9266 Approved
0.7188 Intermediate Similarity NPD4626 Approved
0.7176 Intermediate Similarity NPD196 Phase 1
0.7163 Intermediate Similarity NPD7003 Approved
0.7133 Intermediate Similarity NPD1511 Approved
0.7133 Intermediate Similarity NPD7075 Discontinued
0.7133 Intermediate Similarity NPD3749 Approved
0.7132 Intermediate Similarity NPD2979 Phase 3
0.7123 Intermediate Similarity NPD7458 Discontinued
0.7122 Intermediate Similarity NPD4477 Approved
0.7122 Intermediate Similarity NPD4476 Approved
0.7121 Intermediate Similarity NPD987 Approved
0.7114 Intermediate Similarity NPD3817 Phase 2
0.7109 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD1202 Approved
0.7099 Intermediate Similarity NPD4359 Approved
0.7097 Intermediate Similarity NPD821 Approved
0.7097 Intermediate Similarity NPD7843 Approved
0.7083 Intermediate Similarity NPD5401 Approved
0.708 Intermediate Similarity NPD4618 Approved
0.708 Intermediate Similarity NPD4622 Approved
0.7077 Intermediate Similarity NPD1611 Approved
0.7042 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7095 Approved
0.7034 Intermediate Similarity NPD1512 Approved
0.7027 Intermediate Similarity NPD6386 Approved
0.7027 Intermediate Similarity NPD6385 Approved
0.7014 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2239 Approved
0.7 Intermediate Similarity NPD2240 Approved
0.6991 Remote Similarity NPD9256 Approved
0.6991 Remote Similarity NPD9258 Approved
0.6986 Remote Similarity NPD5403 Approved
0.6986 Remote Similarity NPD1670 Discontinued
0.698 Remote Similarity NPD6279 Approved
0.698 Remote Similarity NPD6280 Approved
0.698 Remote Similarity NPD7577 Discontinued
0.6978 Remote Similarity NPD1536 Approved
0.6978 Remote Similarity NPD5688 Approved
0.6978 Remote Similarity NPD5689 Approved
0.6972 Remote Similarity NPD2654 Approved
0.697 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6967 Remote Similarity NPD290 Approved
0.6966 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6966 Remote Similarity NPD3146 Approved
0.6959 Remote Similarity NPD6585 Discontinued
0.6957 Remote Similarity NPD1184 Approved
0.6948 Remote Similarity NPD6808 Phase 2
0.6929 Remote Similarity NPD7157 Approved
0.6929 Remote Similarity NPD7033 Discontinued
0.6913 Remote Similarity NPD5890 Approved
0.6913 Remote Similarity NPD5889 Approved
0.6912 Remote Similarity NPD5163 Phase 2
0.6901 Remote Similarity NPD4534 Discontinued
0.6887 Remote Similarity NPD2296 Approved
0.6885 Remote Similarity NPD968 Approved
0.6879 Remote Similarity NPD2438 Suspended
0.6879 Remote Similarity NPD1519 Approved
0.6879 Remote Similarity NPD1537 Approved
0.6879 Remote Similarity NPD2531 Phase 2
0.6879 Remote Similarity NPD1538 Phase 1
0.6867 Remote Similarity NPD1934 Approved
0.6866 Remote Similarity NPD1164 Approved
0.6866 Remote Similarity NPD6362 Approved
0.6859 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6857 Remote Similarity NPD1520 Approved
0.6857 Remote Similarity NPD1521 Approved
0.6855 Remote Similarity NPD5451 Approved
0.6853 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6853 Remote Similarity NPD2800 Approved
0.685 Remote Similarity NPD9281 Approved
0.6849 Remote Similarity NPD4661 Approved
0.6849 Remote Similarity NPD4662 Approved
0.6846 Remote Similarity NPD9268 Approved
0.6842 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7768 Phase 2
0.6842 Remote Similarity NPD3882 Suspended
0.6821 Remote Similarity NPD2801 Approved
0.6821 Remote Similarity NPD1465 Phase 2
0.6821 Remote Similarity NPD2393 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   83063
ChEMBL   CHEMBL2271145
ZINC  

Physicochemical Properties

Molecular Weight:  178.06
ALogP:  -0.3351
MLogP:  2.23
XLogP:  2.075
# Rotatable Bonds:  5
Polar Surface Area:  43.37
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  13

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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