Natural Product: NPC178290

Natural Product ID:  NPC178290
Common Name:   Futoenone
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H20O5
Standard InCHIKey:  SXHVHWXETMBKPP-KXXATPMCSA-N
Standard InCHI:  InChI=1S/C20H20O5/c1-11-14(12-3-4-16-17(5-12)24-10-23-16)6-13-8-20(11)9-18(22-2)15(21)7-19(20)25-13/h3-5,7,9,11,13-14H,6,8,10H2,1-2H3/t11-,13+,14+,20-/m1/s1
Canonical SMILES:  COC1=C[C@@]23C[C@@H](OC2=CC1=O)C[C@@H]([C@H]3C)c1ccc2c(c1)OCO2
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
NPO16953 Piper wallichii Species Piperaceae Eukaryota Stems PMID[22734410]
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota PMID[22080044]
NPO4865 Piper kadsura Species Piperaceae Eukaryota HerDing*
NPO9078 Piper hancei Species Piperaceae Eukaryota HerDing*
NPO18811 Magnolia biondii Species Magnoliaceae Eukaryota TM-MC*
NPO15064 Magnolia denudata Species Magnoliaceae Eukaryota TM-MC*
NPO1918 Magnolia kobus Species Magnoliaceae Eukaryota TM-MC*
NPO15294 Magnolia salicifolia Species Magnoliaceae Eukaryota TM-MC*
NPO25197 Magnolia sprengeri Species Magnoliaceae Eukaryota TM-MC*
NPO9078 Piper hancei Species Piperaceae Eukaryota TCMID*
NPO4865 Piper kadsura Species Piperaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens IC50 < 1000 nM 10.1016/0960-894X(95)00282-X
NPT567 Individual Protein Matrix metalloproteinase 3 Homo sapiens Inhibition = 35 % 10.1016/0960-894X(95)00282-X
NPT69 Individual Protein Matrix metalloproteinase-1 Homo sapiens Inhibition = 16 % 10.1016/0960-894X(95)00282-X
NPT280 Individual Protein Matrix metalloproteinase 9 Homo sapiens Inhibition = 0 % 10.1016/0960-894X(95)00282-X

  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 NPC178290 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
0.9338 High Similarity NPC278076
0.9071 High Similarity NPC50696
0.8777 High Similarity NPC166184
0.875 High Similarity NPC25496
0.8731 High Similarity NPC64948
0.8603 High Similarity NPC476748
0.8593 High Similarity NPC177167
0.8571 High Similarity NPC475170
0.8561 High Similarity NPC301641
0.8561 High Similarity NPC80241
0.8529 High Similarity NPC158471
0.8529 High Similarity NPC226862
0.8529 High Similarity NPC57119
0.8529 High Similarity NPC165128
0.8456 Intermediate Similarity NPC158737
0.8444 Intermediate Similarity NPC17348
0.8444 Intermediate Similarity NPC85830
0.8421 Intermediate Similarity NPC114845
0.8414 Intermediate Similarity NPC15743
0.8411 Intermediate Similarity NPC117154
0.8409 Intermediate Similarity NPC344161
0.8406 Intermediate Similarity NPC233224
0.8406 Intermediate Similarity NPC271208
0.8367 Intermediate Similarity NPC476336
0.8358 Intermediate Similarity NPC256167
0.8357 Intermediate Similarity NPC205915
0.8345 Intermediate Similarity NPC82111
0.8345 Intermediate Similarity NPC227160
0.8322 Intermediate Similarity NPC318575
0.831 Intermediate Similarity NPC102260
0.831 Intermediate Similarity NPC230968
0.8298 Intermediate Similarity NPC90083
0.8298 Intermediate Similarity NPC170779
0.8286 Intermediate Similarity NPC7744
0.8276 Intermediate Similarity NPC476842
0.8276 Intermediate Similarity NPC476840
0.8273 Intermediate Similarity NPC280399
0.8273 Intermediate Similarity NPC233961
0.8273 Intermediate Similarity NPC339621
0.8248 Intermediate Similarity NPC40352
0.8248 Intermediate Similarity NPC213711
0.8239 Intermediate Similarity NPC474139
0.8227 Intermediate Similarity NPC266848
0.8227 Intermediate Similarity NPC136750
0.8219 Intermediate Similarity NPC86455
0.8219 Intermediate Similarity NPC472564
0.8219 Intermediate Similarity NPC137920
0.8219 Intermediate Similarity NPC125134
0.8214 Intermediate Similarity NPC192255
0.8207 Intermediate Similarity NPC246474
0.8207 Intermediate Similarity NPC218092
0.8207 Intermediate Similarity NPC162851
0.8207 Intermediate Similarity NPC51681
0.8195 Intermediate Similarity NPC69670
0.8169 Intermediate Similarity NPC110958
0.8169 Intermediate Similarity NPC19890
0.8163 Intermediate Similarity NPC473575
0.8156 Intermediate Similarity NPC33611
0.8156 Intermediate Similarity NPC219671
0.8156 Intermediate Similarity NPC261812
0.8156 Intermediate Similarity NPC104077
0.8156 Intermediate Similarity NPC72046
0.8156 Intermediate Similarity NPC129687
0.8156 Intermediate Similarity NPC171928
0.8156 Intermediate Similarity NPC65183
0.8156 Intermediate Similarity NPC100223
0.8156 Intermediate Similarity NPC259742
0.8156 Intermediate Similarity NPC16830
0.8156 Intermediate Similarity NPC147616
0.8156 Intermediate Similarity NPC158526
0.8148 Intermediate Similarity NPC193484
0.8143 Intermediate Similarity NPC171550
0.8143 Intermediate Similarity NPC134764
0.8133 Intermediate Similarity NPC127827
0.8129 Intermediate Similarity NPC68619
0.8112 Intermediate Similarity NPC142547
0.8112 Intermediate Similarity NPC135777
0.8112 Intermediate Similarity NPC174191
0.8112 Intermediate Similarity NPC189474
0.8108 Intermediate Similarity NPC280717
0.8108 Intermediate Similarity NPC271607
0.8102 Intermediate Similarity NPC121783
0.8102 Intermediate Similarity NPC18449
0.8102 Intermediate Similarity NPC34902
0.8099 Intermediate Similarity NPC169973
0.8095 Intermediate Similarity NPC474966
0.8079 Intermediate Similarity NPC12854
0.8069 Intermediate Similarity NPC76032
0.8069 Intermediate Similarity NPC132723
0.8067 Intermediate Similarity NPC262804
0.8067 Intermediate Similarity NPC40654
0.8058 Intermediate Similarity NPC100129
0.8056 Intermediate Similarity NPC11453
0.8054 Intermediate Similarity NPC189054
0.8045 Intermediate Similarity NPC212643
0.8045 Intermediate Similarity NPC199209
0.8042 Intermediate Similarity NPC31530
0.8042 Intermediate Similarity NPC145769
0.8042 Intermediate Similarity NPC37065
0.8042 Intermediate Similarity NPC47181
0.803 Intermediate Similarity NPC47194
0.8029 Intermediate Similarity NPC249788
0.8028 Intermediate Similarity NPC227002
0.8025 Intermediate Similarity NPC474568
0.8015 Intermediate Similarity NPC172676
0.8015 Intermediate Similarity NPC216929
0.8015 Intermediate Similarity NPC57268
0.8015 Intermediate Similarity NPC126935
0.8015 Intermediate Similarity NPC312713
0.8015 Intermediate Similarity NPC65933
0.8014 Intermediate Similarity NPC275950
0.8014 Intermediate Similarity NPC477705
0.8014 Intermediate Similarity NPC477694
0.8014 Intermediate Similarity NPC470855
0.8013 Intermediate Similarity NPC85141
0.7987 Intermediate Similarity NPC19862
0.7987 Intermediate Similarity NPC476841
0.7987 Intermediate Similarity NPC307205
0.7987 Intermediate Similarity NPC235195
0.7987 Intermediate Similarity NPC476843
0.7986 Intermediate Similarity NPC148893
0.7986 Intermediate Similarity NPC18576
0.7986 Intermediate Similarity NPC274356
0.7986 Intermediate Similarity NPC25333
0.7986 Intermediate Similarity NPC49235
0.7985 Intermediate Similarity NPC277460
0.797 Intermediate Similarity NPC111225
0.7962 Intermediate Similarity NPC65784
0.7961 Intermediate Similarity NPC475722
0.7959 Intermediate Similarity NPC28398
0.7959 Intermediate Similarity NPC166137
0.7959 Intermediate Similarity NPC282291
0.7958 Intermediate Similarity NPC477706
0.7958 Intermediate Similarity NPC476345
0.7945 Intermediate Similarity NPC88640
0.7945 Intermediate Similarity NPC123526
0.7945 Intermediate Similarity NPC156376
0.7945 Intermediate Similarity NPC193666
0.7931 Intermediate Similarity NPC143895
0.7931 Intermediate Similarity NPC121651
0.7929 Intermediate Similarity NPC223807
0.7922 Intermediate Similarity NPC308555
0.7919 Intermediate Similarity NPC475000
0.7905 Intermediate Similarity NPC104956
0.7905 Intermediate Similarity NPC210354
0.7905 Intermediate Similarity NPC302506
0.7905 Intermediate Similarity NPC80326
0.7905 Intermediate Similarity NPC472562
0.7905 Intermediate Similarity NPC287124
0.7905 Intermediate Similarity NPC246947
0.7905 Intermediate Similarity NPC176586
0.7902 Intermediate Similarity NPC471505
0.7902 Intermediate Similarity NPC106739
0.7902 Intermediate Similarity NPC239302
0.7898 Intermediate Similarity NPC475095
0.7895 Intermediate Similarity NPC24193
0.7891 Intermediate Similarity NPC103448
0.7891 Intermediate Similarity NPC216434
0.7888 Intermediate Similarity NPC474948
0.7888 Intermediate Similarity NPC42230
0.7887 Intermediate Similarity NPC181079
0.7887 Intermediate Similarity NPC173308
0.7881 Intermediate Similarity NPC24257
0.7881 Intermediate Similarity NPC153620
0.7881 Intermediate Similarity NPC65574
0.7881 Intermediate Similarity NPC304687
0.7881 Intermediate Similarity NPC104024
0.7881 Intermediate Similarity NPC101755
0.7881 Intermediate Similarity NPC80230
0.7879 Intermediate Similarity NPC165106
0.7877 Intermediate Similarity NPC196420
0.7877 Intermediate Similarity NPC185908
0.7877 Intermediate Similarity NPC101807
0.7877 Intermediate Similarity NPC469981
0.7872 Intermediate Similarity NPC222127
0.7872 Intermediate Similarity NPC110313
0.7872 Intermediate Similarity NPC82862
0.7867 Intermediate Similarity NPC327052
0.7862 Intermediate Similarity NPC184938
0.7862 Intermediate Similarity NPC101624
0.7857 Intermediate Similarity NPC475229
0.7857 Intermediate Similarity NPC477378
0.7852 Intermediate Similarity NPC265154
0.7852 Intermediate Similarity NPC477898
0.7848 Intermediate Similarity NPC139876
0.7843 Intermediate Similarity NPC470618
0.7843 Intermediate Similarity NPC145527
0.7843 Intermediate Similarity NPC470619
0.7843 Intermediate Similarity NPC208785
0.7838 Intermediate Similarity NPC471908
0.7838 Intermediate Similarity NPC312199
0.7838 Intermediate Similarity NPC300798
0.7838 Intermediate Similarity NPC323601
0.7838 Intermediate Similarity NPC58137
0.7836 Intermediate Similarity NPC9341
0.7836 Intermediate Similarity NPC268317
0.7836 Intermediate Similarity NPC81067
0.7829 Intermediate Similarity NPC32017
0.7829 Intermediate Similarity NPC477375
0.7829 Intermediate Similarity NPC252281

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC178290 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
0.8146 Intermediate Similarity NPD7028 Phase 2
0.8015 Intermediate Similarity NPD3705 Approved
0.7879 Intermediate Similarity NPD5283 Phase 1
0.7794 Intermediate Similarity NPD1357 Approved
0.7778 Intermediate Similarity NPD5536 Phase 2
0.7632 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD3657 Discovery
0.7547 Intermediate Similarity NPD4965 Approved
0.7547 Intermediate Similarity NPD4966 Approved
0.7547 Intermediate Similarity NPD4967 Phase 2
0.7534 Intermediate Similarity NPD3620 Phase 2
0.7534 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD4060 Phase 1
0.7518 Intermediate Similarity NPD5327 Phase 3
0.75 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD6234 Discontinued
0.7448 Intermediate Similarity NPD7095 Approved
0.7434 Intermediate Similarity NPD4110 Phase 3
0.7434 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD4140 Approved
0.741 Intermediate Similarity NPD5691 Approved
0.7394 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD37 Approved
0.732 Intermediate Similarity NPD8166 Discontinued
0.731 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD1358 Approved
0.7256 Intermediate Similarity NPD8127 Discontinued
0.7255 Intermediate Similarity NPD6674 Discontinued
0.7248 Intermediate Similarity NPD6355 Discontinued
0.7248 Intermediate Similarity NPD5735 Approved
0.7237 Intermediate Similarity NPD5763 Approved
0.7237 Intermediate Similarity NPD5762 Approved
0.723 Intermediate Similarity NPD8032 Phase 2
0.7218 Intermediate Similarity NPD3134 Approved
0.72 Intermediate Similarity NPD2492 Phase 1
0.717 Intermediate Similarity NPD7458 Discontinued
0.7152 Intermediate Similarity NPD7199 Phase 2
0.7143 Intermediate Similarity NPD7228 Approved
0.7124 Intermediate Similarity NPD7266 Discontinued
0.7122 Intermediate Similarity NPD7157 Approved
0.7115 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD4626 Approved
0.7105 Intermediate Similarity NPD4108 Discontinued
0.7091 Intermediate Similarity NPD5494 Approved
0.7089 Intermediate Similarity NPD6273 Approved
0.7086 Intermediate Similarity NPD6353 Approved
0.7059 Intermediate Similarity NPD2438 Suspended
0.7047 Intermediate Similarity NPD5111 Phase 2
0.7047 Intermediate Similarity NPD5109 Approved
0.7047 Intermediate Similarity NPD6798 Discontinued
0.7047 Intermediate Similarity NPD5110 Phase 2
0.7042 Intermediate Similarity NPD5585 Approved
0.7042 Intermediate Similarity NPD1651 Approved
0.7029 Intermediate Similarity NPD5535 Approved
0.7024 Intermediate Similarity NPD4481 Phase 3
0.7007 Intermediate Similarity NPD4624 Approved
0.6994 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6331 Phase 2
0.6986 Remote Similarity NPD1876 Approved
0.698 Remote Similarity NPD3027 Phase 3
0.6978 Remote Similarity NPD1241 Discontinued
0.6977 Remote Similarity NPD7240 Approved
0.6975 Remote Similarity NPD6873 Phase 2
0.6966 Remote Similarity NPD3972 Approved
0.6957 Remote Similarity NPD228 Approved
0.6954 Remote Similarity NPD2979 Phase 3
0.6941 Remote Similarity NPD3818 Discontinued
0.6937 Remote Similarity NPD4727 Phase 1
0.6928 Remote Similarity NPD6896 Approved
0.6928 Remote Similarity NPD7097 Phase 1
0.6928 Remote Similarity NPD6895 Approved
0.6918 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3882 Suspended
0.6908 Remote Similarity NPD1933 Approved
0.6897 Remote Similarity NPD1281 Approved
0.6894 Remote Similarity NPD1653 Approved
0.6892 Remote Similarity NPD2798 Approved
0.6887 Remote Similarity NPD6233 Phase 2
0.6883 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6883 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6879 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4628 Phase 3
0.6875 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6871 Remote Similarity NPD8651 Approved
0.6861 Remote Similarity NPD2684 Approved
0.6859 Remote Similarity NPD4534 Discontinued
0.6848 Remote Similarity NPD3817 Phase 2
0.6846 Remote Similarity NPD5736 Approved
0.6839 Remote Similarity NPD2161 Phase 2
0.6835 Remote Similarity NPD3887 Approved
0.6828 Remote Similarity NPD3496 Discontinued
0.6826 Remote Similarity NPD919 Approved
0.6806 Remote Similarity NPD3025 Approved
0.6806 Remote Similarity NPD3024 Approved
0.6803 Remote Similarity NPD4359 Approved
0.6803 Remote Similarity NPD3600 Clinical (unspecified phase)
0.68 Remote Similarity NPD5752 Clinical (unspecified phase)
0.68 Remote Similarity NPD2968 Approved
0.68 Remote Similarity NPD3534 Clinical (unspecified phase)
0.68 Remote Similarity NPD2971 Approved
0.6797 Remote Similarity NPD4340 Discontinued
0.6795 Remote Similarity NPD1375 Discontinued
0.679 Remote Similarity NPD4210 Discontinued
0.6786 Remote Similarity NPD7843 Approved
0.6776 Remote Similarity NPD4062 Phase 3
0.6776 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6776 Remote Similarity NPD6663 Approved
0.6776 Remote Similarity NPD554 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6761 Remote Similarity NPD4198 Discontinued
0.6759 Remote Similarity NPD3095 Discontinued
0.6759 Remote Similarity NPD2932 Approved
0.6757 Remote Similarity NPD1283 Approved
0.6755 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6752 Remote Similarity NPD5958 Discontinued
0.6748 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6747 Remote Similarity NPD5977 Approved
0.6747 Remote Similarity NPD5978 Approved
0.6743 Remote Similarity NPD7808 Phase 3
0.6736 Remote Similarity NPD3091 Approved
0.6735 Remote Similarity NPD2981 Phase 2
0.6733 Remote Similarity NPD2861 Phase 2
0.6731 Remote Similarity NPD2531 Phase 2
0.6727 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6724 Remote Similarity NPD6797 Phase 2
0.6714 Remote Similarity NPD1139 Approved
0.6714 Remote Similarity NPD1137 Approved
0.6712 Remote Similarity NPD3026 Approved
0.6712 Remote Similarity NPD3023 Approved
0.6711 Remote Similarity NPD1049 Clinical (unspecified phase)
0.671 Remote Similarity NPD7119 Phase 2
0.6709 Remote Similarity NPD4237 Approved
0.6709 Remote Similarity NPD4236 Phase 3
0.6707 Remote Similarity NPD6599 Discontinued
0.6704 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6691 Remote Similarity NPD3022 Approved
0.6691 Remote Similarity NPD5451 Approved
0.6691 Remote Similarity NPD3021 Approved
0.6689 Remote Similarity NPD2983 Phase 2
0.6689 Remote Similarity NPD2982 Phase 2
0.6688 Remote Similarity NPD1471 Phase 3
0.6687 Remote Similarity NPD5058 Phase 3
0.6687 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6764 Approved
0.6686 Remote Similarity NPD7251 Discontinued
0.6686 Remote Similarity NPD6765 Approved
0.6686 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD5090 Approved
0.6667 Remote Similarity NPD7074 Phase 3
0.6667 Remote Similarity NPD3926 Phase 2
0.6667 Remote Similarity NPD1138 Approved
0.6667 Remote Similarity NPD4870 Approved
0.6667 Remote Similarity NPD5089 Approved
0.6667 Remote Similarity NPD1611 Approved
0.6667 Remote Similarity NPD3092 Approved
0.6667 Remote Similarity NPD2970 Approved
0.6667 Remote Similarity NPD2969 Approved
0.6667 Remote Similarity NPD2799 Discontinued
0.6667 Remote Similarity NPD7003 Approved
0.6649 Remote Similarity NPD4107 Approved
0.6648 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6647 Remote Similarity NPD3751 Discontinued
0.6647 Remote Similarity NPD1247 Approved
0.6646 Remote Similarity NPD2897 Discontinued
0.6646 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6646 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6646 Remote Similarity NPD2424 Discontinued
0.6645 Remote Similarity NPD2653 Approved
0.6645 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6645 Remote Similarity NPD4097 Suspended
0.6644 Remote Similarity NPD3019 Approved
0.6644 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6643 Remote Similarity NPD6387 Discontinued
0.6628 Remote Similarity NPD2489 Approved
0.6628 Remote Similarity NPD2898 Approved
0.6628 Remote Similarity NPD27 Approved
0.6627 Remote Similarity NPD1934 Approved
0.6625 Remote Similarity NPD6190 Approved
0.6623 Remote Similarity NPD9494 Approved
0.6623 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6623 Remote Similarity NPD3018 Phase 2
0.6623 Remote Similarity NPD1613 Approved
0.6609 Remote Similarity NPD5844 Phase 1
0.6609 Remote Similarity NPD7054 Approved
0.6608 Remote Similarity NPD3051 Approved
0.6605 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6605 Remote Similarity NPD3146 Approved
0.6601 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6601 Remote Similarity NPD5718 Phase 2
0.66 Remote Similarity NPD3094 Phase 2
0.66 Remote Similarity NPD3267 Approved
0.66 Remote Similarity NPD987 Approved
0.66 Remote Similarity NPD3266 Approved
0.6596 Remote Similarity NPD969 Suspended
0.6592 Remote Similarity NPD8434 Phase 2
0.6591 Remote Similarity NPD6559 Discontinued
0.6587 Remote Similarity NPD4585 Approved
0.6587 Remote Similarity NPD2977 Approved

Structure

External Identifiers

PubChem CID   9819306
ChEMBL   CHEMBL295191
ZINC  

Physicochemical Properties

Molecular Weight:  340.13
ALogP:  -0.8402
MLogP:  3.11
XLogP:  3.603
# Rotatable Bonds:  4
Polar Surface Area:  53.99
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  25

Download Data

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Biological Activities  
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