Natural Product: NPC88739

Natural Product ID:  NPC88739
Common Name:   Trigoflavidol B
IUPAC Name:   methyl (1R,2S,3R)-2,2',3,8-tetrahydroxy-5,5'-dimethoxy-3,3',7,7'-tetramethylspiro[cyclopenta[a]naphthalene-1,9'-naphtho[1,2-f][1,3]benzodioxole]-2-carboxylate
Synonyms:   Trigoflavidol B
Molecular Formula:   C35H32O10
Standard InCHIKey:  SQKDBCWVGPHQAS-GVBYMILNSA-N
Standard InCHI:  InChI=1S/C35H32O10/c1-15-8-21-19(10-25(15)36)20-13-29-31(17(3)18(20)12-27(21)41-5)45-35(44-29)30-23-11-26(37)16(2)9-22(23)28(42-6)14-24(30)33(4,39)34(35,40)32(38)43-7/h8-14,36-37,39-40H,1-7H3/t33-,34+,35-/m1/s1
Canonical SMILES:  COc1cc2c(c3c1cc(C)c(c3)O)[C@@]1([C@]([C@]2(C)O)(O)C(=O)OC)Oc2c(O1)c(C)c1c(c2)c2cc(O)c(cc2c(c1)OC)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
NPO33127 trigonostemon flavidus Species Euphorbiaceae Eukaryota PMID[22548480]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 18500841
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3.12 ug/ml 18500841
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 19490 nM 24479418
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1.56 ug/ml 10924160
NPT660 Cell Line SW480 Homo sapiens IC50 = 15420 nM 23734721
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ > 10 mm PubChem BioAssay data set
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3.12 ug/ml 15012986
NPT81 Cell Line A549 Homo sapiens IC50 = 17050 nM 20017491
NPT83 Cell Line MCF7 Homo sapiens IC50 = 14640 nM 20017491

  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 NPC88739 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 NPC184485
0.8514 High Similarity NPC265563
0.8514 High Similarity NPC304125
0.8222 Intermediate Similarity NPC23593
0.8222 Intermediate Similarity NPC263955
0.8177 Intermediate Similarity NPC29587
0.8167 Intermediate Similarity NPC107739
0.8136 Intermediate Similarity NPC475621
0.8132 Intermediate Similarity NPC275690
0.8132 Intermediate Similarity NPC161609
0.8132 Intermediate Similarity NPC236089
0.8125 Intermediate Similarity NPC25889
0.8098 Intermediate Similarity NPC167045
0.8098 Intermediate Similarity NPC114120
0.809 Intermediate Similarity NPC208818
0.8077 Intermediate Similarity NPC35266
0.8068 Intermediate Similarity NPC192258
0.8068 Intermediate Similarity NPC174311
0.8068 Intermediate Similarity NPC22130
0.8068 Intermediate Similarity NPC476200
0.8068 Intermediate Similarity NPC116838
0.8066 Intermediate Similarity NPC193377
0.8065 Intermediate Similarity NPC205721
0.8056 Intermediate Similarity NPC312006
0.8056 Intermediate Similarity NPC20114
0.8056 Intermediate Similarity NPC222665
0.8056 Intermediate Similarity NPC474075
0.8056 Intermediate Similarity NPC471921
0.8056 Intermediate Similarity NPC129930
0.8056 Intermediate Similarity NPC471920
0.8056 Intermediate Similarity NPC471922
0.8056 Intermediate Similarity NPC149502
0.8056 Intermediate Similarity NPC271755
0.8056 Intermediate Similarity NPC254071
0.8056 Intermediate Similarity NPC114550
0.8056 Intermediate Similarity NPC292712
0.8046 Intermediate Similarity NPC36077
0.8045 Intermediate Similarity NPC216403
0.8045 Intermediate Similarity NPC41494
0.8045 Intermediate Similarity NPC117911
0.8045 Intermediate Similarity NPC186100
0.8034 Intermediate Similarity NPC174734
0.8034 Intermediate Similarity NPC474042
0.8011 Intermediate Similarity NPC313063
0.8011 Intermediate Similarity NPC286301
0.8011 Intermediate Similarity NPC216916
0.8011 Intermediate Similarity NPC184624
0.8 Intermediate Similarity NPC36354
0.8 Intermediate Similarity NPC472159
0.7989 Intermediate Similarity NPC215802
0.7989 Intermediate Similarity NPC475453
0.7989 Intermediate Similarity NPC167231
0.7989 Intermediate Similarity NPC473531
0.7978 Intermediate Similarity NPC222531
0.7967 Intermediate Similarity NPC472158
0.7967 Intermediate Similarity NPC475244
0.7967 Intermediate Similarity NPC473630
0.7966 Intermediate Similarity NPC55121
0.7956 Intermediate Similarity NPC473697
0.7946 Intermediate Similarity NPC293227
0.7946 Intermediate Similarity NPC473717
0.7946 Intermediate Similarity NPC475662
0.7946 Intermediate Similarity NPC473631
0.7946 Intermediate Similarity NPC476203
0.7943 Intermediate Similarity NPC115281
0.7943 Intermediate Similarity NPC181168
0.7943 Intermediate Similarity NPC143328
0.7943 Intermediate Similarity NPC163527
0.7935 Intermediate Similarity NPC108191
0.7935 Intermediate Similarity NPC93685
0.7933 Intermediate Similarity NPC471923
0.7931 Intermediate Similarity NPC292385
0.7931 Intermediate Similarity NPC125709
0.7923 Intermediate Similarity NPC216307
0.7921 Intermediate Similarity NPC223006
0.7921 Intermediate Similarity NPC272750
0.7921 Intermediate Similarity NPC173729
0.7921 Intermediate Similarity NPC134047
0.7921 Intermediate Similarity NPC45943
0.7919 Intermediate Similarity NPC115203
0.7901 Intermediate Similarity NPC52598
0.7901 Intermediate Similarity NPC91043
0.7901 Intermediate Similarity NPC179240
0.7898 Intermediate Similarity NPC329743
0.7895 Intermediate Similarity NPC476358
0.7892 Intermediate Similarity NPC6709
0.7889 Intermediate Similarity NPC286809
0.7889 Intermediate Similarity NPC185498
0.7886 Intermediate Similarity NPC163635
0.788 Intermediate Similarity NPC47191
0.7877 Intermediate Similarity NPC318472
0.7865 Intermediate Similarity NPC144843
0.7865 Intermediate Similarity NPC198796
0.7865 Intermediate Similarity NPC144557
0.7865 Intermediate Similarity NPC140346
0.7865 Intermediate Similarity NPC469472
0.7861 Intermediate Similarity NPC475352
0.7861 Intermediate Similarity NPC473686
0.7861 Intermediate Similarity NPC475220
0.7861 Intermediate Similarity NPC221140
0.7861 Intermediate Similarity NPC474442
0.7861 Intermediate Similarity NPC229817
0.7853 Intermediate Similarity NPC268718
0.7853 Intermediate Similarity NPC141574
0.7853 Intermediate Similarity NPC119910
0.7853 Intermediate Similarity NPC47623
0.7853 Intermediate Similarity NPC150943
0.7853 Intermediate Similarity NPC65784
0.7853 Intermediate Similarity NPC91634
0.7853 Intermediate Similarity NPC78944
0.7853 Intermediate Similarity NPC73422
0.7853 Intermediate Similarity NPC310399
0.7849 Intermediate Similarity NPC478001
0.7841 Intermediate Similarity NPC207584
0.7841 Intermediate Similarity NPC19947
0.7833 Intermediate Similarity NPC306475
0.7831 Intermediate Similarity NPC314672
0.7826 Intermediate Similarity NPC92403
0.7826 Intermediate Similarity NPC196771
0.7826 Intermediate Similarity NPC66820
0.7826 Intermediate Similarity NPC156955
0.7826 Intermediate Similarity NPC76112
0.7826 Intermediate Similarity NPC170018
0.7824 Intermediate Similarity NPC174140
0.7821 Intermediate Similarity NPC477689
0.7821 Intermediate Similarity NPC116759
0.7821 Intermediate Similarity NPC14294
0.7821 Intermediate Similarity NPC327694
0.7819 Intermediate Similarity NPC260521
0.7819 Intermediate Similarity NPC469649
0.7819 Intermediate Similarity NPC174486
0.7814 Intermediate Similarity NPC316539
0.7809 Intermediate Similarity NPC152424
0.7809 Intermediate Similarity NPC115624
0.7809 Intermediate Similarity NPC90336
0.7809 Intermediate Similarity NPC100465
0.7807 Intermediate Similarity NPC154527
0.7802 Intermediate Similarity NPC472160
0.7802 Intermediate Similarity NPC180768
0.7797 Intermediate Similarity NPC478269
0.7797 Intermediate Similarity NPC209473
0.779 Intermediate Similarity NPC469521
0.7789 Intermediate Similarity NPC264302
0.7784 Intermediate Similarity NPC29727
0.7784 Intermediate Similarity NPC109765
0.7784 Intermediate Similarity NPC477882
0.7784 Intermediate Similarity NPC115123
0.7784 Intermediate Similarity NPC32373
0.7784 Intermediate Similarity NPC477880
0.7784 Intermediate Similarity NPC237946
0.7784 Intermediate Similarity NPC239113
0.7784 Intermediate Similarity NPC478055
0.7778 Intermediate Similarity NPC262297
0.7778 Intermediate Similarity NPC158214
0.7778 Intermediate Similarity NPC223534
0.7778 Intermediate Similarity NPC290289
0.7778 Intermediate Similarity NPC240200
0.7772 Intermediate Similarity NPC470667
0.7771 Intermediate Similarity NPC30009
0.7771 Intermediate Similarity NPC103197
0.7771 Intermediate Similarity NPC157333
0.7766 Intermediate Similarity NPC226725
0.7766 Intermediate Similarity NPC112380
0.7759 Intermediate Similarity NPC476391
0.7754 Intermediate Similarity NPC186746
0.7754 Intermediate Similarity NPC150977
0.7747 Intermediate Similarity NPC202428
0.7747 Intermediate Similarity NPC266545
0.7747 Intermediate Similarity NPC476279
0.7746 Intermediate Similarity NPC205501
0.7746 Intermediate Similarity NPC24425
0.7746 Intermediate Similarity NPC162976
0.7746 Intermediate Similarity NPC118000
0.7742 Intermediate Similarity NPC120102
0.774 Intermediate Similarity NPC125495
0.774 Intermediate Similarity NPC202495
0.7737 Intermediate Similarity NPC472724
0.7737 Intermediate Similarity NPC469652
0.7737 Intermediate Similarity NPC201814
0.7737 Intermediate Similarity NPC472720
0.7737 Intermediate Similarity NPC187632
0.7737 Intermediate Similarity NPC31208
0.7737 Intermediate Similarity NPC93065
0.7737 Intermediate Similarity NPC472721
0.7737 Intermediate Similarity NPC160543
0.7735 Intermediate Similarity NPC9309
0.7727 Intermediate Similarity NPC38699
0.7727 Intermediate Similarity NPC238834
0.7725 Intermediate Similarity NPC105591
0.7725 Intermediate Similarity NPC65489
0.7725 Intermediate Similarity NPC269625
0.772 Intermediate Similarity NPC189312
0.772 Intermediate Similarity NPC3474
0.7719 Intermediate Similarity NPC126291
0.7717 Intermediate Similarity NPC199357
0.7717 Intermediate Similarity NPC475197
0.7717 Intermediate Similarity NPC473467
0.7717 Intermediate Similarity NPC470335
0.7717 Intermediate Similarity NPC73899
0.7717 Intermediate Similarity NPC474276

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC88739 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
0.8125 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD7199 Phase 2
0.7935 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD6234 Discontinued
0.7889 Intermediate Similarity NPD7228 Approved
0.7826 Intermediate Similarity NPD8312 Approved
0.7826 Intermediate Similarity NPD8313 Approved
0.7784 Intermediate Similarity NPD4967 Phase 2
0.7784 Intermediate Similarity NPD4965 Approved
0.7784 Intermediate Similarity NPD4966 Approved
0.7771 Intermediate Similarity NPD8455 Phase 2
0.7714 Intermediate Similarity NPD37 Approved
0.7667 Intermediate Similarity NPD6232 Discontinued
0.7637 Intermediate Similarity NPD7473 Discontinued
0.7539 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD7240 Approved
0.7527 Intermediate Similarity NPD7685 Pre-registration
0.7514 Intermediate Similarity NPD8127 Discontinued
0.7459 Intermediate Similarity NPD5844 Phase 1
0.7457 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD6959 Discontinued
0.7377 Intermediate Similarity NPD3787 Discontinued
0.734 Intermediate Similarity NPD6559 Discontinued
0.7326 Intermediate Similarity NPD6674 Discontinued
0.731 Intermediate Similarity NPD5762 Approved
0.731 Intermediate Similarity NPD5763 Approved
0.7303 Intermediate Similarity NPD7028 Phase 2
0.7302 Intermediate Similarity NPD7808 Phase 3
0.7297 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD6166 Phase 2
0.7293 Intermediate Similarity NPD7768 Phase 2
0.7287 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7074 Phase 3
0.7198 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7054 Approved
0.7181 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD7680 Approved
0.716 Intermediate Similarity NPD4060 Phase 1
0.7158 Intermediate Similarity NPD7251 Discontinued
0.7157 Intermediate Similarity NPD8151 Discontinued
0.7143 Intermediate Similarity NPD3817 Phase 2
0.7143 Intermediate Similarity NPD7472 Approved
0.7136 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD3751 Discontinued
0.7128 Intermediate Similarity NPD3818 Discontinued
0.712 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD6355 Discontinued
0.7112 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6004 Phase 3
0.711 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6002 Phase 3
0.711 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6005 Phase 3
0.7105 Intermediate Similarity NPD6797 Phase 2
0.7088 Intermediate Similarity NPD7819 Suspended
0.7088 Intermediate Similarity NPD1465 Phase 2
0.7087 Intermediate Similarity NPD7783 Phase 2
0.7087 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7003 Approved
0.7079 Intermediate Similarity NPD7435 Discontinued
0.7065 Intermediate Similarity NPD7075 Discontinued
0.7056 Intermediate Similarity NPD3226 Approved
0.7056 Intermediate Similarity NPD7458 Discontinued
0.7044 Intermediate Similarity NPD7871 Phase 2
0.7044 Intermediate Similarity NPD7870 Phase 2
0.7041 Intermediate Similarity NPD6798 Discontinued
0.7011 Intermediate Similarity NPD3882 Suspended
0.7005 Intermediate Similarity NPD7229 Phase 3
0.6995 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6989 Remote Similarity NPD8166 Discontinued
0.6983 Remote Similarity NPD6273 Approved
0.6982 Remote Similarity NPD7095 Approved
0.6974 Remote Similarity NPD8150 Discontinued
0.6973 Remote Similarity NPD3749 Approved
0.6966 Remote Similarity NPD7390 Discontinued
0.6957 Remote Similarity NPD7874 Approved
0.6957 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5405 Approved
0.6954 Remote Similarity NPD5408 Approved
0.6954 Remote Similarity NPD5404 Approved
0.6954 Remote Similarity NPD5406 Approved
0.6947 Remote Similarity NPD7799 Discontinued
0.6944 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6941 Remote Similarity NPD1699 Clinical (unspecified phase)
0.694 Remote Similarity NPD1934 Approved
0.6936 Remote Similarity NPD7097 Phase 1
0.6931 Remote Similarity NPD6776 Approved
0.6931 Remote Similarity NPD6782 Approved
0.6931 Remote Similarity NPD6780 Approved
0.6931 Remote Similarity NPD6781 Approved
0.6931 Remote Similarity NPD6777 Approved
0.6931 Remote Similarity NPD6779 Approved
0.6931 Remote Similarity NPD6778 Approved
0.6927 Remote Similarity NPD2534 Approved
0.6927 Remote Similarity NPD2533 Approved
0.6927 Remote Similarity NPD2532 Approved
0.6912 Remote Similarity NPD7696 Phase 3
0.6912 Remote Similarity NPD7698 Approved
0.6912 Remote Similarity NPD7697 Approved
0.6902 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6902 Remote Similarity NPD2801 Approved
0.6901 Remote Similarity NPD8032 Phase 2
0.6901 Remote Similarity NPD6233 Phase 2
0.6893 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6888 Remote Similarity NPD8434 Phase 2
0.6868 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6865 Remote Similarity NPD8443 Clinical (unspecified phase)
0.686 Remote Similarity NPD3620 Phase 2
0.686 Remote Similarity NPD7701 Phase 2
0.686 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6834 Remote Similarity NPD7296 Approved
0.6833 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6821 Remote Similarity NPD5735 Approved
0.6818 Remote Similarity NPD2346 Discontinued
0.6809 Remote Similarity NPD5494 Approved
0.6802 Remote Similarity NPD6663 Approved
0.68 Remote Similarity NPD7033 Discontinued
0.6798 Remote Similarity NPD4110 Phase 3
0.6798 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6796 Remote Similarity NPD8320 Phase 1
0.6796 Remote Similarity NPD8319 Approved
0.6796 Remote Similarity NPD1512 Approved
0.6793 Remote Similarity NPD7411 Suspended
0.6791 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6791 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6786 Remote Similarity NPD1283 Approved
0.6784 Remote Similarity NPD4625 Phase 3
0.6782 Remote Similarity NPD6653 Approved
0.678 Remote Similarity NPD6823 Phase 2
0.6771 Remote Similarity NPD7177 Discontinued
0.6763 Remote Similarity NPD4140 Approved
0.6762 Remote Similarity NPD7801 Approved
0.6761 Remote Similarity NPD6100 Approved
0.6761 Remote Similarity NPD6099 Approved
0.6761 Remote Similarity NPD2935 Discontinued
0.6761 Remote Similarity NPD2438 Suspended
0.676 Remote Similarity NPD6190 Approved
0.6757 Remote Similarity NPD6801 Discontinued
0.6755 Remote Similarity NPD919 Approved
0.6749 Remote Similarity NPD7699 Phase 2
0.6749 Remote Similarity NPD7700 Phase 2
0.6745 Remote Similarity NPD7930 Approved
0.6742 Remote Similarity NPD7421 Clinical (unspecified phase)
0.674 Remote Similarity NPD7446 Clinical (unspecified phase)
0.674 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6599 Discontinued
0.6723 Remote Similarity NPD7266 Discontinued
0.672 Remote Similarity NPD5760 Phase 2
0.672 Remote Similarity NPD5761 Phase 2
0.6707 Remote Similarity NPD3705 Approved
0.6704 Remote Similarity NPD3750 Approved
0.6704 Remote Similarity NPD4628 Phase 3
0.6702 Remote Similarity NPD3926 Phase 2
0.6686 Remote Similarity NPD6696 Suspended
0.6685 Remote Similarity NPD1511 Approved
0.6684 Remote Similarity NPD5402 Approved
0.6683 Remote Similarity NPD6535 Approved
0.6683 Remote Similarity NPD6534 Approved
0.6667 Remote Similarity NPD5736 Approved
0.6667 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2979 Phase 3
0.665 Remote Similarity NPD2493 Approved
0.665 Remote Similarity NPD2494 Approved
0.6649 Remote Similarity NPD4380 Phase 2
0.6648 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6647 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6647 Remote Similarity NPD3764 Approved
0.663 Remote Similarity NPD1653 Approved
0.6629 Remote Similarity NPD1933 Approved
0.6628 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6607 Remote Similarity NPD1281 Approved
0.6603 Remote Similarity NPD7999 Approved
0.6593 Remote Similarity NPD6799 Approved
0.6592 Remote Similarity NPD970 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6353 Approved
0.6587 Remote Similarity NPD7497 Discontinued
0.6576 Remote Similarity NPD5403 Approved
0.6571 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6571 Remote Similarity NPD1613 Approved
0.657 Remote Similarity NPD3452 Approved
0.657 Remote Similarity NPD2861 Phase 2
0.657 Remote Similarity NPD3450 Approved
0.6569 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6562 Remote Similarity NPD7315 Approved
0.6555 Remote Similarity NPD4583 Approved
0.6555 Remote Similarity NPD4582 Approved
0.6552 Remote Similarity NPD7985 Registered
0.6545 Remote Similarity NPD4666 Phase 3
0.6537 Remote Similarity NPD2974 Approved
0.6537 Remote Similarity NPD2975 Approved
0.6537 Remote Similarity NPD2973 Approved
0.6535 Remote Similarity NPD2488 Approved
0.6535 Remote Similarity NPD2490 Approved
0.6534 Remote Similarity NPD447 Suspended

Structure

External Identifiers

PubChem CID   59051758
ChEMBL   CHEMBL2047330
ZINC  

Physicochemical Properties

Molecular Weight:  612.20
ALogP:  -0.4261
MLogP:  4.21
XLogP:  3.625
# Rotatable Bonds:  15
Polar Surface Area:  144.14
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  45

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Biological Activities  
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