Natural Product: NPC80241

Natural Product ID:  NPC80241
Common Name:   5-[(2R,3R)-4-(1,3-Benzodioxol-5-Yl)-2,3-Dimethylbutyl]-1,3-Benzodioxole
IUPAC Name:   5-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-1,3-benzodioxole
Synonyms:  
Molecular Formula:   C20H22O4
Standard InCHIKey:  QEFJURUMSHPMTC-ZIAGYGMSSA-N
Standard InCHI:  InChI=1S/C20H22O4/c1-13(7-15-3-5-17-19(9-15)23-11-21-17)14(2)8-16-4-6-18-20(10-16)24-12-22-18/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3/t13-,14-/m1/s1
Canonical SMILES:  C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)Cc1ccc2c(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
NPO27520 Casuarina equisetifolia Species Casuarinaceae Eukaryota UNPD*
NPO27742 Mollugo pentaphylla Species Molluginaceae Eukaryota UNPD*
NPO7237 Xanthostemon oppositifolius Species Myrtaceae Eukaryota UNPD*
NPO27130 Tsuga sieboldii Species Pinaceae Eukaryota UNPD*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota Seeds PMID[17998162]
NPO7393 Esenbeckia nesiotica Species Rutaceae Eukaryota UNPD*
NPO27593 Silene dioica Species Caryophyllaceae Eukaryota UNPD*
NPO2665 Andinobates fulguritus Species Dendrobatidae Eukaryota UNPD*
NPO27777 Artemisia phaeolepis Species Asteraceae Eukaryota UNPD*
NPO5146 Tuta absoluta Species Gelechiidae Eukaryota UNPD*
NPO27570 Paederia foetida Species Rubiaceae Eukaryota UNPD*
NPO19928 Lachnoanaerobaculum saburreum Species Lachnospiraceae Bacteria UNPD*
NPO5162 Comaster multifida Species Comatulidae Eukaryota UNPD*
NPO28409 Lens phaseoloides Species Fabaceae Eukaryota UNPD*
NPO27339 Lactarius blennius Species Russulaceae Eukaryota UNPD*
NPO16221 Dolichos kilimandscharicus Species Fabaceae Eukaryota UNPD*
NPO6113 Piper pedicellosum Species Piperaceae Eukaryota UNPD*
NPO26934 Naucleopsis mello-barretoi Species Moraceae Eukaryota UNPD*
NPO5334 Rhodotypos scandens Species Rosaceae Eukaryota UNPD*
NPO27635 Laurencia dendroidea Species Rhodomelaceae Eukaryota UNPD*
NPO8303 Catalpa bignonioides Species Bignoniaceae Eukaryota UNPD*
NPO8532 Helipterum tenellum Species Asteraceae Eukaryota UNPD*
NPO4539 Ipomoea cristulata Species Convolvulaceae Eukaryota UNPD*
NPO1382 Hyptis tomentosa Species Lamiaceae Eukaryota UNPD*
NPO27465 Sinularia erecta Species Alcyoniidae Eukaryota UNPD*
NPO490 Lophozonia menziesii Species Nothofagaceae Eukaryota UNPD*
NPO5746 Pancratium trianthum Species Amaryllidaceae Eukaryota UNPD*
NPO17811 Cephalonoplos segetum Species Asteraceae Eukaryota UNPD*
NPO5241 Myristica fragrans Species Myristicaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 0 % 17998162

  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 NPC80241 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 NPC301641
0.9825 High Similarity NPC344161
0.95 High Similarity NPC158737
0.95 High Similarity NPC177167
0.9421 High Similarity NPC226862
0.9421 High Similarity NPC165128
0.9421 High Similarity NPC158471
0.9421 High Similarity NPC57119
0.9417 High Similarity NPC213711
0.9417 High Similarity NPC40352
0.9344 High Similarity NPC476748
0.9333 High Similarity NPC17348
0.9328 High Similarity NPC249788
0.9268 High Similarity NPC271208
0.9268 High Similarity NPC233224
0.9256 High Similarity NPC274356
0.9211 High Similarity NPC165106
0.9194 High Similarity NPC82111
0.9194 High Similarity NPC227160
0.9194 High Similarity NPC192255
0.912 High Similarity NPC219671
0.912 High Similarity NPC7744
0.912 High Similarity NPC104077
0.912 High Similarity NPC259742
0.912 High Similarity NPC147616
0.9113 High Similarity NPC134764
0.9113 High Similarity NPC171550
0.9052 High Similarity NPC47194
0.9052 High Similarity NPC473264
0.9052 High Similarity NPC475815
0.9048 High Similarity NPC169973
0.9048 High Similarity NPC136750
0.9048 High Similarity NPC205915
0.9048 High Similarity NPC266848
0.8976 High Similarity NPC90083
0.8976 High Similarity NPC170779
0.8974 High Similarity NPC81067
0.8974 High Similarity NPC9341
0.8968 High Similarity NPC33611
0.8968 High Similarity NPC65183
0.8968 High Similarity NPC261812
0.8968 High Similarity NPC129687
0.8968 High Similarity NPC158526
0.8968 High Similarity NPC171928
0.8968 High Similarity NPC100223
0.8968 High Similarity NPC16830
0.8968 High Similarity NPC72046
0.896 High Similarity NPC275950
0.8947 High Similarity NPC31279
0.8934 High Similarity NPC121783
0.8934 High Similarity NPC34902
0.8934 High Similarity NPC18449
0.8906 High Similarity NPC135777
0.8906 High Similarity NPC142547
0.8906 High Similarity NPC474139
0.8906 High Similarity NPC189474
0.8889 High Similarity NPC476345
0.8871 High Similarity NPC64948
0.8871 High Similarity NPC100129
0.886 High Similarity NPC127326
0.8843 High Similarity NPC65933
0.8843 High Similarity NPC312713
0.8843 High Similarity NPC172676
0.8843 High Similarity NPC126935
0.8843 High Similarity NPC57268
0.8843 High Similarity NPC216929
0.8828 High Similarity NPC19890
0.8828 High Similarity NPC47181
0.8828 High Similarity NPC110958
0.8828 High Similarity NPC31530
0.8824 High Similarity NPC474040
0.8819 High Similarity NPC106739
0.8819 High Similarity NPC471505
0.8819 High Similarity NPC227002
0.881 High Similarity NPC181079
0.881 High Similarity NPC173308
0.8769 High Similarity NPC185908
0.876 High Similarity NPC25333
0.876 High Similarity NPC18576
0.876 High Similarity NPC150534
0.876 High Similarity NPC49235
0.876 High Similarity NPC148893
0.875 High Similarity NPC196937
0.8702 High Similarity NPC123526
0.8702 High Similarity NPC193666
0.8702 High Similarity NPC88640
0.8699 High Similarity NPC31344
0.8699 High Similarity NPC317769
0.8692 High Similarity NPC11453
0.8692 High Similarity NPC32189
0.8692 High Similarity NPC121651
0.8678 High Similarity NPC232316
0.8678 High Similarity NPC165133
0.8678 High Similarity NPC56214
0.8678 High Similarity NPC117780
0.8678 High Similarity NPC227217
0.8678 High Similarity NPC242885
0.8678 High Similarity NPC95614
0.8672 High Similarity NPC97316
0.8661 High Similarity NPC63574
0.8651 High Similarity NPC222127
0.8651 High Similarity NPC82862
0.8626 High Similarity NPC469981
0.8626 High Similarity NPC101807
0.8626 High Similarity NPC283949
0.8615 High Similarity NPC101624
0.8615 High Similarity NPC184938
0.8615 High Similarity NPC174191
0.8595 High Similarity NPC281298
0.8595 High Similarity NPC310338
0.8595 High Similarity NPC69670
0.8571 High Similarity NPC473092
0.8571 High Similarity NPC166137
0.8571 High Similarity NPC8050
0.8571 High Similarity NPC223807
0.8571 High Similarity NPC282291
0.8571 High Similarity NPC473093
0.8571 High Similarity NPC312199
0.8561 High Similarity NPC9068
0.8561 High Similarity NPC113550
0.8561 High Similarity NPC178290
0.8561 High Similarity NPC156376
0.856 High Similarity NPC85830
0.855 High Similarity NPC143895
0.855 High Similarity NPC102260
0.855 High Similarity NPC230968
0.8548 High Similarity NPC470887
0.8538 High Similarity NPC185680
0.8538 High Similarity NPC145722
0.8538 High Similarity NPC256776
0.8537 High Similarity NPC160380
0.8537 High Similarity NPC477886
0.8537 High Similarity NPC114845
0.8537 High Similarity NPC38996
0.8516 High Similarity NPC184814
0.8512 High Similarity NPC470626
0.8512 High Similarity NPC474214
0.8507 High Similarity NPC210354
0.8507 High Similarity NPC80326
0.8507 High Similarity NPC472562
0.8507 High Similarity NPC302506
0.8507 High Similarity NPC176586
0.8507 High Similarity NPC246947
0.8504 High Similarity NPC281864
0.8504 High Similarity NPC54321
0.8504 High Similarity NPC328682
0.8496 Intermediate Similarity NPC216434
0.8496 Intermediate Similarity NPC46591
0.8496 Intermediate Similarity NPC103448
0.8496 Intermediate Similarity NPC177868
0.8496 Intermediate Similarity NPC226547
0.8496 Intermediate Similarity NPC56091
0.8492 Intermediate Similarity NPC112571
0.8492 Intermediate Similarity NPC206882
0.8492 Intermediate Similarity NPC50683
0.8492 Intermediate Similarity NPC285725
0.8485 Intermediate Similarity NPC166184
0.8485 Intermediate Similarity NPC196420
0.8468 Intermediate Similarity NPC256167
0.8468 Intermediate Similarity NPC85488
0.8462 Intermediate Similarity NPC1474
0.845 Intermediate Similarity NPC161557
0.845 Intermediate Similarity NPC27843
0.845 Intermediate Similarity NPC7171
0.845 Intermediate Similarity NPC228346
0.845 Intermediate Similarity NPC158079
0.845 Intermediate Similarity NPC115207
0.845 Intermediate Similarity NPC40432
0.8444 Intermediate Similarity NPC298317
0.8444 Intermediate Similarity NPC477898
0.8444 Intermediate Similarity NPC265154
0.8444 Intermediate Similarity NPC474288
0.8444 Intermediate Similarity NPC255566
0.8444 Intermediate Similarity NPC474808
0.8443 Intermediate Similarity NPC474320
0.8443 Intermediate Similarity NPC119949
0.8443 Intermediate Similarity NPC475961
0.8443 Intermediate Similarity NPC254625
0.8433 Intermediate Similarity NPC471908
0.8433 Intermediate Similarity NPC58137
0.8433 Intermediate Similarity NPC218092
0.8433 Intermediate Similarity NPC300798
0.8433 Intermediate Similarity NPC246474
0.8433 Intermediate Similarity NPC162851
0.843 Intermediate Similarity NPC212643
0.843 Intermediate Similarity NPC293619
0.843 Intermediate Similarity NPC199209
0.8425 Intermediate Similarity NPC98745
0.8421 Intermediate Similarity NPC292792
0.8409 Intermediate Similarity NPC197166
0.84 Intermediate Similarity NPC280704
0.8385 Intermediate Similarity NPC207400
0.8385 Intermediate Similarity NPC181049
0.8382 Intermediate Similarity NPC84181
0.8382 Intermediate Similarity NPC177644
0.8382 Intermediate Similarity NPC473575
0.8382 Intermediate Similarity NPC191158
0.8382 Intermediate Similarity NPC179521
0.837 Intermediate Similarity NPC151423
0.837 Intermediate Similarity NPC311057

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC80241 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
0.9211 High Similarity NPD5283 Phase 1
0.8689 High Similarity NPD3705 Approved
0.8293 Intermediate Similarity NPD1357 Approved
0.8175 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.813 Intermediate Similarity NPD5536 Phase 2
0.7955 Intermediate Similarity NPD5109 Approved
0.7955 Intermediate Similarity NPD5111 Phase 2
0.7955 Intermediate Similarity NPD5110 Phase 2
0.7934 Intermediate Similarity NPD228 Approved
0.7929 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD3021 Approved
0.7769 Intermediate Similarity NPD3022 Approved
0.7752 Intermediate Similarity NPD2981 Phase 2
0.7744 Intermediate Similarity NPD3027 Phase 3
0.7724 Intermediate Similarity NPD7028 Phase 2
0.7692 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD2982 Phase 2
0.7692 Intermediate Similarity NPD2983 Phase 2
0.7664 Intermediate Similarity NPD6896 Approved
0.7664 Intermediate Similarity NPD6895 Approved
0.7647 Intermediate Similarity NPD3657 Discovery
0.7639 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7623 Intermediate Similarity NPD5451 Approved
0.7606 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD3018 Phase 2
0.7584 Intermediate Similarity NPD4965 Approved
0.7584 Intermediate Similarity NPD4966 Approved
0.7584 Intermediate Similarity NPD4967 Phase 2
0.7581 Intermediate Similarity NPD5535 Approved
0.7574 Intermediate Similarity NPD3620 Phase 2
0.7574 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7557 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD2684 Approved
0.754 Intermediate Similarity NPD6387 Discontinued
0.754 Intermediate Similarity NPD7157 Approved
0.7537 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2922 Phase 1
0.75 Intermediate Similarity NPD1139 Approved
0.75 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD1137 Approved
0.7483 Intermediate Similarity NPD6234 Discontinued
0.7482 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD4108 Discontinued
0.7465 Intermediate Similarity NPD4110 Phase 3
0.7465 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD2492 Phase 1
0.745 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7445 Intermediate Similarity NPD4060 Phase 1
0.7442 Intermediate Similarity NPD1651 Approved
0.744 Intermediate Similarity NPD1138 Approved
0.744 Intermediate Similarity NPD7843 Approved
0.7426 Intermediate Similarity NPD5718 Phase 2
0.7424 Intermediate Similarity NPD5327 Phase 3
0.7405 Intermediate Similarity NPD1281 Approved
0.7402 Intermediate Similarity NPD709 Approved
0.7394 Intermediate Similarity NPD6674 Discontinued
0.7386 Intermediate Similarity NPD7199 Phase 2
0.7376 Intermediate Similarity NPD1375 Discontinued
0.7353 Intermediate Similarity NPD7095 Approved
0.7343 Intermediate Similarity NPD6331 Phase 2
0.7324 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD1358 Approved
0.7311 Intermediate Similarity NPD3020 Approved
0.7308 Intermediate Similarity NPD5691 Approved
0.7308 Intermediate Similarity NPD5585 Approved
0.7305 Intermediate Similarity NPD2161 Phase 2
0.729 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD6355 Discontinued
0.7259 Intermediate Similarity NPD4624 Approved
0.7252 Intermediate Similarity NPD2668 Approved
0.7252 Intermediate Similarity NPD2667 Approved
0.7252 Intermediate Similarity NPD4626 Approved
0.7246 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7124 Phase 2
0.7239 Intermediate Similarity NPD1283 Approved
0.7236 Intermediate Similarity NPD3134 Approved
0.7226 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD2978 Approved
0.7219 Intermediate Similarity NPD2977 Approved
0.7206 Intermediate Similarity NPD2861 Phase 2
0.7203 Intermediate Similarity NPD2808 Discontinued
0.7197 Intermediate Similarity NPD3847 Discontinued
0.7194 Intermediate Similarity NPD2979 Phase 3
0.7183 Intermediate Similarity NPD2438 Suspended
0.7172 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD2358 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD1669 Approved
0.7153 Intermediate Similarity NPD4236 Phase 3
0.7153 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD4237 Approved
0.7152 Intermediate Similarity NPD7228 Approved
0.7143 Intermediate Similarity NPD5735 Approved
0.7121 Intermediate Similarity NPD5846 Approved
0.7121 Intermediate Similarity NPD17 Approved
0.7121 Intermediate Similarity NPD6516 Phase 2
0.7114 Intermediate Similarity NPD4210 Discontinued
0.7111 Intermediate Similarity NPD1876 Approved
0.7099 Intermediate Similarity NPD1182 Approved
0.7092 Intermediate Similarity NPD2653 Approved
0.709 Intermediate Similarity NPD2232 Approved
0.709 Intermediate Similarity NPD2233 Approved
0.709 Intermediate Similarity NPD2230 Approved
0.709 Intermediate Similarity NPD1840 Phase 2
0.708 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD3596 Phase 2
0.7071 Intermediate Similarity NPD1613 Approved
0.7071 Intermediate Similarity NPD4140 Approved
0.7071 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD3539 Phase 1
0.7059 Intermediate Similarity NPD2860 Approved
0.7059 Intermediate Similarity NPD2859 Approved
0.7042 Intermediate Similarity NPD7119 Phase 2
0.7042 Intermediate Similarity NPD6111 Discontinued
0.7039 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD4359 Approved
0.7037 Intermediate Similarity NPD3685 Discontinued
0.7034 Intermediate Similarity NPD4162 Approved
0.7034 Intermediate Similarity NPD3060 Approved
0.7029 Intermediate Similarity NPD4908 Phase 1
0.7027 Intermediate Similarity NPD4584 Approved
0.7021 Intermediate Similarity NPD1933 Approved
0.7015 Intermediate Similarity NPD1611 Approved
0.7014 Intermediate Similarity NPD3540 Phase 1
0.7014 Intermediate Similarity NPD7266 Discontinued
0.7007 Intermediate Similarity NPD5058 Phase 3
0.7007 Intermediate Similarity NPD6584 Phase 3
0.7007 Intermediate Similarity NPD2798 Approved
0.7 Intermediate Similarity NPD6671 Approved
0.7 Intermediate Similarity NPD2674 Phase 3
0.7 Intermediate Similarity NPD8032 Phase 2
0.6994 Remote Similarity NPD7280 Phase 3
0.6994 Remote Similarity NPD7281 Phase 3
0.6975 Remote Similarity NPD7240 Approved
0.6975 Remote Similarity NPD2934 Approved
0.6975 Remote Similarity NPD2933 Approved
0.6974 Remote Similarity NPD6873 Phase 2
0.6972 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6353 Approved
0.697 Remote Similarity NPD6580 Approved
0.697 Remote Similarity NPD6581 Approved
0.6966 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6963 Remote Similarity NPD3972 Approved
0.6963 Remote Similarity NPD1608 Approved
0.695 Remote Similarity NPD1558 Phase 1
0.6944 Remote Similarity NPD2531 Phase 2
0.6939 Remote Similarity NPD5241 Discontinued
0.6929 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6929 Remote Similarity NPD3144 Approved
0.6929 Remote Similarity NPD6798 Discontinued
0.6929 Remote Similarity NPD3145 Approved
0.6929 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7097 Phase 1
0.6918 Remote Similarity NPD5177 Phase 3
0.6917 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6917 Remote Similarity NPD3444 Approved
0.6917 Remote Similarity NPD3445 Approved
0.6917 Remote Similarity NPD3443 Approved
0.6913 Remote Similarity NPD4739 Approved
0.6897 Remote Similarity NPD5763 Approved
0.6897 Remote Similarity NPD5762 Approved
0.6889 Remote Similarity NPD1091 Approved
0.6889 Remote Similarity NPD1610 Phase 2
0.6884 Remote Similarity NPD7905 Discontinued
0.687 Remote Similarity NPD2557 Approved
0.6867 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6866 Remote Similarity NPD2107 Clinical (unspecified phase)
0.6861 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6861 Remote Similarity NPD8651 Approved
0.6859 Remote Similarity NPD5604 Discontinued
0.6859 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6853 Remote Similarity NPD2157 Approved
0.6853 Remote Similarity NPD4097 Suspended
0.6848 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7458 Discontinued
0.6831 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6829 Remote Similarity NPD3028 Approved
0.6825 Remote Similarity NPD968 Approved
0.6821 Remote Similarity NPD6031 Approved
0.6821 Remote Similarity NPD5976 Discontinued
0.6821 Remote Similarity NPD4727 Phase 1
0.6821 Remote Similarity NPD6030 Approved
0.6821 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3383 Approved
0.6818 Remote Similarity NPD3382 Approved
0.6818 Remote Similarity NPD3384 Approved
0.6815 Remote Similarity NPD3496 Discontinued
0.6797 Remote Similarity NPD6876 Approved
0.6797 Remote Similarity NPD6875 Approved
0.6788 Remote Similarity NPD6582 Phase 2
0.6788 Remote Similarity NPD6583 Phase 3
0.6776 Remote Similarity NPD2883 Discontinued
0.6772 Remote Similarity NPD290 Approved
0.6772 Remote Similarity NPD5494 Approved
0.6769 Remote Similarity NPD821 Approved
0.6765 Remote Similarity NPD776 Approved

Structure

External Identifiers

PubChem CID   185825
ChEMBL   CHEMBL400319
ZINC  

Physicochemical Properties

Molecular Weight:  326.15
ALogP:  0.3038
MLogP:  3.22
XLogP:  6.13
# Rotatable Bonds:  7
Polar Surface Area:  36.92
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
Similar NPs/Drugs