Natural Product: NPC228739

Natural Product ID:  NPC228739
Common Name:   Swerilactone M
IUPAC Name:   7-acetyl-5-[(1S)-1-hydroxyethyl]-3,4-dihydroisochromen-1-one
Synonyms:   Swerilactone M
Molecular Formula:   C13H14O4
Standard InCHIKey:  DGTOBGOQSPGHCS-QMMMGPOBSA-N
Standard InCHI:  InChI=1S/C13H14O4/c1-7(14)9-5-11(8(2)15)10-3-4-17-13(16)12(10)6-9/h5-6,8,15H,3-4H2,1-2H3/t8-/m0/s1
Canonical SMILES:  CC(=O)c1cc([C@@H](O)C)c2c(c1)C(=O)OCC2
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
NPO13483 Silene praemixta Species Caryophyllaceae Eukaryota UNPD*
NPO2825 Chiloscyphus pallescens Species Lophocoleaceae Eukaryota UNPD*
NPO25228 Corollospora pulchella Species Halosphaeriaceae Eukaryota UNPD*
NPO31453 Swertia mileensis Species Gentianaceae Eukaryota Whole Plants PMID[21823575]
NPO22085 Cercospora traversiana Species Mycosphaerellaceae Eukaryota UNPD*
NPO20828 Swertia leducii Species Gentianaceae Eukaryota UNPD*
NPO23166 Keteleeria evelyniana Species Pinaceae Eukaryota UNPD*
NPO23292 Andrographis macrobotrys Species Acanthaceae Eukaryota UNPD*
NPO24468 Zanthoxylum macrophyllum Species Rutaceae Eukaryota UNPD*
NPO21804 Dryopteris villarii Species Dryopteridaceae Eukaryota UNPD*
NPO11200.1 Paenibacillus larvae subsp. pulvifaciens Subspecies Paenibacillaceae Bacteria UNPD*
NPO25134 Cephalosporium chrysogenum Species NA Eukaryota UNPD*
NPO25070 Naranga aenescens NA NA NA UNPD*
NPO24661 Leontice leontopetalum Species Berberidaceae Eukaryota UNPD*
NPO24875 Lithocarpus litseifolius Species Fagaceae Eukaryota UNPD*
NPO22424 Cetraria ornata Species Parmeliaceae Eukaryota UNPD*
NPO19759 Begonia fagifolia Species Begoniaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio CC50/IC50 < 1 21823575
NPT2 Others Unspecified Ratio CC50/IC50 = 1.53 21823575
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 = 1200000 nM 21823575
NPT2 Others Unspecified CC50 = 1840000 nM 21823575
NPT963 Organism Hepatitis B virus Hepatitis B virus IC50 > 2690000 nM 21823575

  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 NPC228739 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
0.9412 High Similarity NPC223351
0.8974 High Similarity NPC306740
0.8632 High Similarity NPC210089
0.8594 High Similarity NPC82712
0.8333 Intermediate Similarity NPC272524
0.8319 Intermediate Similarity NPC167504
0.8268 Intermediate Similarity NPC85511
0.8211 Intermediate Similarity NPC158157
0.8197 Intermediate Similarity NPC476357
0.8167 Intermediate Similarity NPC260818
0.811 Intermediate Similarity NPC167323
0.811 Intermediate Similarity NPC269923
0.8099 Intermediate Similarity NPC321852
0.8099 Intermediate Similarity NPC79496
0.8077 Intermediate Similarity NPC253681
0.8062 Intermediate Similarity NPC295664
0.806 Intermediate Similarity NPC310662
0.8049 Intermediate Similarity NPC474095
0.8049 Intermediate Similarity NPC474685
0.8029 Intermediate Similarity NPC221104
0.8016 Intermediate Similarity NPC204784
0.8015 Intermediate Similarity NPC115797
0.8015 Intermediate Similarity NPC51448
0.8 Intermediate Similarity NPC265407
0.8 Intermediate Similarity NPC85493
0.8 Intermediate Similarity NPC83628
0.8 Intermediate Similarity NPC477893
0.7986 Intermediate Similarity NPC470842
0.7984 Intermediate Similarity NPC472704
0.7984 Intermediate Similarity NPC135730
0.7967 Intermediate Similarity NPC153053
0.7967 Intermediate Similarity NPC477411
0.7967 Intermediate Similarity NPC196673
0.7955 Intermediate Similarity NPC473744
0.7951 Intermediate Similarity NPC158282
0.7949 Intermediate Similarity NPC284477
0.7941 Intermediate Similarity NPC27407
0.7941 Intermediate Similarity NPC142027
0.7939 Intermediate Similarity NPC110211
0.7939 Intermediate Similarity NPC472706
0.7923 Intermediate Similarity NPC184219
0.7923 Intermediate Similarity NPC246166
0.7907 Intermediate Similarity NPC472703
0.7899 Intermediate Similarity NPC476643
0.7891 Intermediate Similarity NPC472981
0.7886 Intermediate Similarity NPC13784
0.7883 Intermediate Similarity NPC291454
0.7872 Intermediate Similarity NPC471731
0.7872 Intermediate Similarity NPC159721
0.7869 Intermediate Similarity NPC474157
0.7869 Intermediate Similarity NPC476003
0.7868 Intermediate Similarity NPC477896
0.7863 Intermediate Similarity NPC275576
0.7857 Intermediate Similarity NPC228318
0.7857 Intermediate Similarity NPC149533
0.7852 Intermediate Similarity NPC477407
0.7851 Intermediate Similarity NPC318327
0.784 Intermediate Similarity NPC226093
0.784 Intermediate Similarity NPC100353
0.7836 Intermediate Similarity NPC72915
0.7833 Intermediate Similarity NPC119271
0.7826 Intermediate Similarity NPC119542
0.7823 Intermediate Similarity NPC474363
0.7823 Intermediate Similarity NPC307651
0.7817 Intermediate Similarity NPC151607
0.7817 Intermediate Similarity NPC42540
0.7812 Intermediate Similarity NPC133302
0.781 Intermediate Similarity NPC472372
0.781 Intermediate Similarity NPC472374
0.7805 Intermediate Similarity NPC66208
0.7803 Intermediate Similarity NPC169913
0.7803 Intermediate Similarity NPC204579
0.7801 Intermediate Similarity NPC471733
0.7797 Intermediate Similarity NPC25458
0.7795 Intermediate Similarity NPC27633
0.7795 Intermediate Similarity NPC94298
0.7794 Intermediate Similarity NPC48929
0.7794 Intermediate Similarity NPC126516
0.7793 Intermediate Similarity NPC247219
0.7778 Intermediate Similarity NPC214702
0.7778 Intermediate Similarity NPC228435
0.7778 Intermediate Similarity NPC473777
0.7778 Intermediate Similarity NPC470831
0.7769 Intermediate Similarity NPC56493
0.7769 Intermediate Similarity NPC67300
0.776 Intermediate Similarity NPC186933
0.776 Intermediate Similarity NPC228936
0.775 Intermediate Similarity NPC209632
0.7742 Intermediate Similarity NPC128368
0.7737 Intermediate Similarity NPC474097
0.7734 Intermediate Similarity NPC472708
0.7731 Intermediate Similarity NPC301943
0.7731 Intermediate Similarity NPC474365
0.773 Intermediate Similarity NPC477894
0.773 Intermediate Similarity NPC37530
0.773 Intermediate Similarity NPC472604
0.773 Intermediate Similarity NPC472603
0.773 Intermediate Similarity NPC472605
0.7727 Intermediate Similarity NPC49938
0.7724 Intermediate Similarity NPC474057
0.7721 Intermediate Similarity NPC302844
0.7714 Intermediate Similarity NPC26924
0.7714 Intermediate Similarity NPC88269
0.7712 Intermediate Similarity NPC70624
0.7708 Intermediate Similarity NPC471346
0.7705 Intermediate Similarity NPC10251
0.7705 Intermediate Similarity NPC17417
0.7705 Intermediate Similarity NPC469636
0.7698 Intermediate Similarity NPC149691
0.7698 Intermediate Similarity NPC245058
0.7692 Intermediate Similarity NPC293831
0.7692 Intermediate Similarity NPC229242
0.7692 Intermediate Similarity NPC260152
0.7692 Intermediate Similarity NPC369
0.768 Intermediate Similarity NPC196075
0.768 Intermediate Similarity NPC237366
0.768 Intermediate Similarity NPC471721
0.768 Intermediate Similarity NPC308744
0.768 Intermediate Similarity NPC87069
0.7674 Intermediate Similarity NPC234337
0.7674 Intermediate Similarity NPC183339
0.7674 Intermediate Similarity NPC133389
0.7667 Intermediate Similarity NPC31786
0.7667 Intermediate Similarity NPC114594
0.7664 Intermediate Similarity NPC329913
0.7664 Intermediate Similarity NPC59459
0.7664 Intermediate Similarity NPC43627
0.7661 Intermediate Similarity NPC212415
0.7661 Intermediate Similarity NPC270699
0.7661 Intermediate Similarity NPC82899
0.7661 Intermediate Similarity NPC474314
0.766 Intermediate Similarity NPC315578
0.766 Intermediate Similarity NPC99441
0.766 Intermediate Similarity NPC182869
0.766 Intermediate Similarity NPC472601
0.766 Intermediate Similarity NPC472600
0.7655 Intermediate Similarity NPC5568
0.7655 Intermediate Similarity NPC471734
0.7647 Intermediate Similarity NPC304873
0.7643 Intermediate Similarity NPC126739
0.7643 Intermediate Similarity NPC197666
0.7643 Intermediate Similarity NPC61590
0.7642 Intermediate Similarity NPC251854
0.7642 Intermediate Similarity NPC174099
0.7642 Intermediate Similarity NPC196246
0.7642 Intermediate Similarity NPC214067
0.7642 Intermediate Similarity NPC93084
0.7639 Intermediate Similarity NPC473692
0.7639 Intermediate Similarity NPC474630
0.7638 Intermediate Similarity NPC131192
0.7634 Intermediate Similarity NPC475192
0.7634 Intermediate Similarity NPC65627
0.763 Intermediate Similarity NPC27712
0.763 Intermediate Similarity NPC262819
0.7627 Intermediate Similarity NPC203925
0.7627 Intermediate Similarity NPC217621
0.7626 Intermediate Similarity NPC158481
0.7626 Intermediate Similarity NPC235115
0.7626 Intermediate Similarity NPC39549
0.7623 Intermediate Similarity NPC211439
0.7622 Intermediate Similarity NPC478202
0.7619 Intermediate Similarity NPC274839
0.7619 Intermediate Similarity NPC217111
0.7619 Intermediate Similarity NPC210092
0.7615 Intermediate Similarity NPC144547
0.7612 Intermediate Similarity NPC121104
0.7607 Intermediate Similarity NPC92754
0.7607 Intermediate Similarity NPC276775
0.7607 Intermediate Similarity NPC249912
0.7606 Intermediate Similarity NPC478217
0.7606 Intermediate Similarity NPC95449
0.7606 Intermediate Similarity NPC472035
0.7606 Intermediate Similarity NPC313123
0.7606 Intermediate Similarity NPC478201
0.7606 Intermediate Similarity NPC184053
0.7603 Intermediate Similarity NPC105899
0.76 Intermediate Similarity NPC478027
0.7594 Intermediate Similarity NPC236405
0.7594 Intermediate Similarity NPC9180
0.7594 Intermediate Similarity NPC100402
0.7591 Intermediate Similarity NPC476644
0.7589 Intermediate Similarity NPC471602
0.7589 Intermediate Similarity NPC268052
0.7589 Intermediate Similarity NPC476477
0.7589 Intermediate Similarity NPC92655
0.7589 Intermediate Similarity NPC216312
0.7589 Intermediate Similarity NPC299405
0.7589 Intermediate Similarity NPC295339
0.7589 Intermediate Similarity NPC473988
0.7589 Intermediate Similarity NPC111422
0.7589 Intermediate Similarity NPC29771
0.7589 Intermediate Similarity NPC306835
0.7589 Intermediate Similarity NPC256463
0.7586 Intermediate Similarity NPC471735
0.7586 Intermediate Similarity NPC473023
0.7583 Intermediate Similarity NPC255676
0.7583 Intermediate Similarity NPC60679
0.7583 Intermediate Similarity NPC89886
0.7581 Intermediate Similarity NPC1082
0.7581 Intermediate Similarity NPC305912

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC228739 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
0.7895 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7795 Intermediate Similarity NPD9545 Approved
0.7761 Intermediate Similarity NPD7008 Discontinued
0.7705 Intermediate Similarity NPD2182 Approved
0.7669 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD164 Approved
0.7661 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD5951 Approved
0.7606 Intermediate Similarity NPD4628 Phase 3
0.7561 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD1237 Approved
0.7479 Intermediate Similarity NPD1238 Approved
0.744 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD3226 Approved
0.7405 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7319 Intermediate Similarity NPD3764 Approved
0.7295 Intermediate Similarity NPD1929 Approved
0.7295 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD1930 Approved
0.7273 Intermediate Similarity NPD2346 Discontinued
0.7273 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD7236 Approved
0.7219 Intermediate Similarity NPD7411 Suspended
0.719 Intermediate Similarity NPD2066 Phase 3
0.7177 Intermediate Similarity NPD5048 Discontinued
0.7164 Intermediate Similarity NPD6287 Discontinued
0.7162 Intermediate Similarity NPD2532 Approved
0.7162 Intermediate Similarity NPD2534 Approved
0.7162 Intermediate Similarity NPD2533 Approved
0.7154 Intermediate Similarity NPD6647 Phase 2
0.7153 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5126 Approved
0.7143 Intermediate Similarity NPD5125 Phase 3
0.7133 Intermediate Similarity NPD7239 Suspended
0.7132 Intermediate Similarity NPD6010 Discontinued
0.7124 Intermediate Similarity NPD7819 Suspended
0.7107 Intermediate Similarity NPD9495 Approved
0.7103 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD9256 Approved
0.7094 Intermediate Similarity NPD9258 Approved
0.7086 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD2629 Approved
0.7059 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD230 Phase 1
0.7019 Intermediate Similarity NPD5844 Phase 1
0.7007 Intermediate Similarity NPD1283 Approved
0.6993 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1607 Approved
0.6986 Remote Similarity NPD1549 Phase 2
0.6985 Remote Similarity NPD1608 Approved
0.6972 Remote Similarity NPD7966 Clinical (unspecified phase)
0.697 Remote Similarity NPD9493 Approved
0.6935 Remote Similarity NPD1932 Approved
0.6929 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6917 Remote Similarity NPD1202 Approved
0.6906 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6906 Remote Similarity NPD6085 Phase 2
0.6903 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6897 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6892 Remote Similarity NPD3750 Approved
0.6892 Remote Similarity NPD7003 Approved
0.6879 Remote Similarity NPD7075 Discontinued
0.6863 Remote Similarity NPD7458 Discontinued
0.6861 Remote Similarity NPD3972 Approved
0.686 Remote Similarity NPD688 Clinical (unspecified phase)
0.686 Remote Similarity NPD1693 Approved
0.6859 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6853 Remote Similarity NPD1240 Approved
0.6849 Remote Similarity NPD1551 Phase 2
0.6839 Remote Similarity NPD6801 Discontinued
0.6835 Remote Similarity NPD1470 Approved
0.6832 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6831 Remote Similarity NPD3268 Approved
0.6831 Remote Similarity NPD2313 Discontinued
0.6825 Remote Similarity NPD5909 Discontinued
0.6821 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6818 Remote Similarity NPD6599 Discontinued
0.6818 Remote Similarity NPD4380 Phase 2
0.6815 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6807 Remote Similarity NPD1090 Approved
0.6807 Remote Similarity NPD1089 Approved
0.6807 Remote Similarity NPD1086 Approved
0.6803 Remote Similarity NPD1989 Approved
0.6803 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6788 Remote Similarity NPD1201 Approved
0.6788 Remote Similarity NPD1281 Approved
0.6786 Remote Similarity NPD8150 Discontinued
0.6781 Remote Similarity NPD2799 Discontinued
0.6781 Remote Similarity NPD1510 Phase 2
0.6779 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6779 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6777 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6776 Remote Similarity NPD6273 Approved
0.6767 Remote Similarity NPD4198 Discontinued
0.6765 Remote Similarity NPD17 Approved
0.6752 Remote Similarity NPD9257 Approved
0.6752 Remote Similarity NPD9259 Approved
0.675 Remote Similarity NPD6959 Discontinued
0.675 Remote Similarity NPD1239 Approved
0.6748 Remote Similarity NPD7177 Discontinued
0.6748 Remote Similarity NPD7799 Discontinued
0.6744 Remote Similarity NPD2329 Discontinued
0.6741 Remote Similarity NPD7741 Discontinued
0.6739 Remote Similarity NPD6637 Approved
0.6739 Remote Similarity NPD9717 Approved
0.6735 Remote Similarity NPD5405 Approved
0.6735 Remote Similarity NPD5406 Approved
0.6735 Remote Similarity NPD5408 Approved
0.6735 Remote Similarity NPD5404 Approved
0.6723 Remote Similarity NPD800 Approved
0.6713 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7058 Phase 2
0.6709 Remote Similarity NPD7057 Phase 3
0.6708 Remote Similarity NPD5710 Approved
0.6708 Remote Similarity NPD5711 Approved
0.6694 Remote Similarity NPD1088 Approved
0.6692 Remote Similarity NPD2067 Discontinued
0.6691 Remote Similarity NPD5157 Phase 1
0.6691 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6691 Remote Similarity NPD5159 Phase 2
0.6689 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6689 Remote Similarity NPD6002 Phase 3
0.6689 Remote Similarity NPD6005 Phase 3
0.6689 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1471 Phase 3
0.6689 Remote Similarity NPD6004 Phase 3
0.6667 Remote Similarity NPD3748 Approved
0.6667 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7305 Phase 1
0.6667 Remote Similarity NPD7033 Discontinued
0.6667 Remote Similarity NPD7713 Phase 3
0.6667 Remote Similarity NPD4308 Phase 3
0.6645 Remote Similarity NPD6799 Approved
0.6642 Remote Similarity NPD4626 Approved
0.6628 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6622 Remote Similarity NPD2935 Discontinued
0.6621 Remote Similarity NPD2979 Phase 3
0.6619 Remote Similarity NPD4878 Approved
0.6617 Remote Similarity NPD1241 Discontinued
0.6614 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6613 Remote Similarity NPD1565 Approved
0.6613 Remote Similarity NPD1566 Phase 3
0.6613 Remote Similarity NPD1564 Approved
0.6607 Remote Similarity NPD8313 Approved
0.6607 Remote Similarity NPD8312 Approved
0.6605 Remote Similarity NPD6232 Discontinued
0.6601 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6601 Remote Similarity NPD4378 Clinical (unspecified phase)
0.66 Remote Similarity NPD1243 Approved
0.6597 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6596 Remote Similarity NPD3267 Approved
0.6596 Remote Similarity NPD3266 Approved
0.6596 Remote Similarity NPD1203 Approved
0.6594 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6591 Remote Similarity NPD9508 Approved
0.6585 Remote Similarity NPD7473 Discontinued
0.6582 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6569 Remote Similarity NPD1651 Approved
0.6569 Remote Similarity NPD5691 Approved
0.6565 Remote Similarity NPD1317 Discontinued
0.6562 Remote Similarity NPD3749 Approved
0.6556 Remote Similarity NPD8166 Discontinued
0.6555 Remote Similarity NPD650 Approved
0.6555 Remote Similarity NPD1087 Approved
0.6547 Remote Similarity NPD518 Clinical (unspecified phase)
0.6545 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6525 Remote Similarity NPD2199 Approved
0.6525 Remote Similarity NPD1876 Approved
0.6525 Remote Similarity NPD2198 Approved
0.6522 Remote Similarity NPD1778 Approved
0.6522 Remote Similarity NPD5305 Approved
0.6522 Remote Similarity NPD5306 Approved
0.6516 Remote Similarity NPD5403 Approved
0.6516 Remote Similarity NPD920 Approved
0.651 Remote Similarity NPD2438 Suspended
0.651 Remote Similarity NPD6100 Approved
0.651 Remote Similarity NPD6099 Approved
0.651 Remote Similarity NPD2796 Approved
0.65 Remote Similarity NPD4868 Clinical (unspecified phase)
0.65 Remote Similarity NPD7768 Phase 2
0.6496 Remote Similarity NPD9491 Approved
0.6494 Remote Similarity NPD5401 Approved
0.6491 Remote Similarity NPD8434 Phase 2
0.649 Remote Similarity NPD2800 Approved
0.6488 Remote Similarity NPD8368 Discontinued
0.6486 Remote Similarity NPD2567 Approved
0.6486 Remote Similarity NPD2569 Approved
0.6483 Remote Similarity NPD411 Approved
0.648 Remote Similarity NPD3495 Discontinued
0.6479 Remote Similarity NPD1164 Approved
0.6479 Remote Similarity NPD2797 Approved
0.6475 Remote Similarity NPD7609 Phase 3
0.6475 Remote Similarity NPD4135 Approved
0.6475 Remote Similarity NPD4106 Approved

Structure

External Identifiers

PubChem CID   53483971
ChEMBL   CHEMBL1817920
ZINC  

Physicochemical Properties

Molecular Weight:  234.09
ALogP:  -0.5372
MLogP:  2.45
XLogP:  1.133
# Rotatable Bonds:  5
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  17

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General Info & Identifiers & Properties  
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Biological Activities  
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