Natural Product: NPC477677

Natural Product ID:  NPC477677
Common Name:   dimethyl (2S,4R)-2,4-dihydroxy-2-[(2R)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]pentanedioate
IUPAC Name:   dimethyl (2S,4R)-2,4-dihydroxy-2-[(2R)-5-hydroxy-7-methyl-4-oxo-2,3-dihydrothieno[2,3-b]chromen-2-yl]pentanedioate
Synonyms:  
Molecular Formula:   C19H20O9S
Standard InCHIKey:  ICIIHDQGIKEFTE-MJCKAROISA-N
Standard InCHI:  InChI=1S/C19H20O9S/c1-8-4-10(20)14-12(5-8)28-17-9(15(14)22)6-13(29-17)19(25,18(24)27-3)7-11(21)16(23)26-2/h4-5,11,13,20-21,25H,6-7H2,1-3H3/t11-,13-,19-/m1/s1
Canonical SMILES:  COC(=O)[C@]([C@@H]1Sc2c(C1)c(=O)c1c(o2)cc(cc1O)C)(C[C@H](C(=O)OC)O)O
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
NPO33528 Penicillium oxalicum SCSGAF 0023 Species Aspergillaceae Eukaryota isolated from gorgonian Muricella flexuosa South China Sea, Sanya (18°11’N, 109°25’E), Hainan Province, China PMID[24767845]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT466 Cell Line U-937 Homo sapiens IC50 = 5000 nM 24767845
NPT112 Cell Line MOLT-4 Homo sapiens IC50 = 2300 nM 24767845
NPT116 Cell Line HL-60 Homo sapiens IC50 = 6410 nM 24767845

  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 NPC477677 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 NPC264756
1.0 High Similarity NPC34910
0.9677 High Similarity NPC284918
0.9114 High Similarity NPC272550
0.8924 High Similarity NPC226801
0.8868 High Similarity NPC301233
0.8634 High Similarity NPC198236
0.8545 High Similarity NPC117985
0.8519 High Similarity NPC55092
0.8476 Intermediate Similarity NPC246466
0.8457 Intermediate Similarity NPC213224
0.8415 Intermediate Similarity NPC154341
0.8405 Intermediate Similarity NPC478231
0.8395 Intermediate Similarity NPC200773
0.8395 Intermediate Similarity NPC70016
0.8395 Intermediate Similarity NPC240768
0.8395 Intermediate Similarity NPC215921
0.8373 Intermediate Similarity NPC472055
0.8354 Intermediate Similarity NPC99381
0.8354 Intermediate Similarity NPC69043
0.8354 Intermediate Similarity NPC326910
0.8354 Intermediate Similarity NPC237560
0.8354 Intermediate Similarity NPC478230
0.8344 Intermediate Similarity NPC478224
0.8343 Intermediate Similarity NPC20237
0.8333 Intermediate Similarity NPC475717
0.8333 Intermediate Similarity NPC249181
0.8313 Intermediate Similarity NPC470339
0.8294 Intermediate Similarity NPC473094
0.8294 Intermediate Similarity NPC283041
0.8293 Intermediate Similarity NPC275837
0.8293 Intermediate Similarity NPC137301
0.8284 Intermediate Similarity NPC191930
0.8272 Intermediate Similarity NPC73236
0.8261 Intermediate Similarity NPC210320
0.8253 Intermediate Similarity NPC473395
0.8253 Intermediate Similarity NPC472889
0.8246 Intermediate Similarity NPC473095
0.8246 Intermediate Similarity NPC473096
0.8242 Intermediate Similarity NPC478221
0.8242 Intermediate Similarity NPC473241
0.8242 Intermediate Similarity NPC208173
0.8242 Intermediate Similarity NPC317585
0.8242 Intermediate Similarity NPC472890
0.8242 Intermediate Similarity NPC170189
0.8232 Intermediate Similarity NPC253904
0.8232 Intermediate Similarity NPC321363
0.8232 Intermediate Similarity NPC76041
0.8232 Intermediate Similarity NPC115249
0.8232 Intermediate Similarity NPC184284
0.8232 Intermediate Similarity NPC256141
0.8221 Intermediate Similarity NPC116822
0.8221 Intermediate Similarity NPC469619
0.8221 Intermediate Similarity NPC472891
0.8221 Intermediate Similarity NPC179178
0.8221 Intermediate Similarity NPC469670
0.8217 Intermediate Similarity NPC268691
0.821 Intermediate Similarity NPC228012
0.821 Intermediate Similarity NPC73411
0.821 Intermediate Similarity NPC153417
0.821 Intermediate Similarity NPC215711
0.8193 Intermediate Similarity NPC472050
0.8182 Intermediate Similarity NPC155686
0.816 Intermediate Similarity NPC270160
0.816 Intermediate Similarity NPC77325
0.816 Intermediate Similarity NPC237440
0.816 Intermediate Similarity NPC4423
0.8155 Intermediate Similarity NPC243701
0.8148 Intermediate Similarity NPC202494
0.8148 Intermediate Similarity NPC14098
0.8148 Intermediate Similarity NPC146884
0.8144 Intermediate Similarity NPC77679
0.8144 Intermediate Similarity NPC84935
0.8144 Intermediate Similarity NPC190020
0.8144 Intermediate Similarity NPC478226
0.8144 Intermediate Similarity NPC478225
0.8137 Intermediate Similarity NPC316535
0.8133 Intermediate Similarity NPC79998
0.8133 Intermediate Similarity NPC16082
0.8133 Intermediate Similarity NPC68727
0.8133 Intermediate Similarity NPC175192
0.8133 Intermediate Similarity NPC82592
0.8125 Intermediate Similarity NPC51106
0.8125 Intermediate Similarity NPC472006
0.8121 Intermediate Similarity NPC470338
0.8121 Intermediate Similarity NPC470337
0.8121 Intermediate Similarity NPC470340
0.8121 Intermediate Similarity NPC113608
0.8121 Intermediate Similarity NPC268992
0.8121 Intermediate Similarity NPC51824
0.811 Intermediate Similarity NPC321387
0.811 Intermediate Similarity NPC470908
0.811 Intermediate Similarity NPC327059
0.811 Intermediate Similarity NPC180351
0.811 Intermediate Similarity NPC56204
0.8107 Intermediate Similarity NPC317544
0.8107 Intermediate Similarity NPC112418
0.8098 Intermediate Similarity NPC471642
0.8098 Intermediate Similarity NPC471641
0.8098 Intermediate Similarity NPC172329
0.8098 Intermediate Similarity NPC2569
0.8098 Intermediate Similarity NPC470359
0.8098 Intermediate Similarity NPC10097
0.8098 Intermediate Similarity NPC240622
0.8098 Intermediate Similarity NPC240253
0.8086 Intermediate Similarity NPC107625
0.8086 Intermediate Similarity NPC316769
0.8084 Intermediate Similarity NPC150227
0.8075 Intermediate Similarity NPC86373
0.8075 Intermediate Similarity NPC277426
0.8075 Intermediate Similarity NPC210425
0.8075 Intermediate Similarity NPC280404
0.8075 Intermediate Similarity NPC95751
0.8072 Intermediate Similarity NPC193200
0.8072 Intermediate Similarity NPC471695
0.8072 Intermediate Similarity NPC281477
0.807 Intermediate Similarity NPC472049
0.8061 Intermediate Similarity NPC132990
0.8061 Intermediate Similarity NPC46882
0.8059 Intermediate Similarity NPC471745
0.805 Intermediate Similarity NPC469523
0.8049 Intermediate Similarity NPC307052
0.8049 Intermediate Similarity NPC139966
0.8047 Intermediate Similarity NPC471744
0.8047 Intermediate Similarity NPC470810
0.8047 Intermediate Similarity NPC130955
0.8047 Intermediate Similarity NPC470358
0.8046 Intermediate Similarity NPC476772
0.8046 Intermediate Similarity NPC473113
0.8037 Intermediate Similarity NPC53362
0.8037 Intermediate Similarity NPC222298
0.8037 Intermediate Similarity NPC47388
0.8037 Intermediate Similarity NPC91902
0.8037 Intermediate Similarity NPC166583
0.8037 Intermediate Similarity NPC51070
0.8037 Intermediate Similarity NPC472036
0.8037 Intermediate Similarity NPC473133
0.8037 Intermediate Similarity NPC8817
0.8037 Intermediate Similarity NPC470670
0.8037 Intermediate Similarity NPC85773
0.8037 Intermediate Similarity NPC21835
0.8036 Intermediate Similarity NPC263483
0.8036 Intermediate Similarity NPC282390
0.8036 Intermediate Similarity NPC281137
0.8035 Intermediate Similarity NPC476771
0.8025 Intermediate Similarity NPC297788
0.8024 Intermediate Similarity NPC199926
0.8024 Intermediate Similarity NPC471456
0.8024 Intermediate Similarity NPC304207
0.8024 Intermediate Similarity NPC259710
0.8024 Intermediate Similarity NPC108937
0.8024 Intermediate Similarity NPC304745
0.8024 Intermediate Similarity NPC111341
0.8024 Intermediate Similarity NPC207809
0.8024 Intermediate Similarity NPC48579
0.8024 Intermediate Similarity NPC279218
0.8024 Intermediate Similarity NPC217706
0.8023 Intermediate Similarity NPC13481
0.8023 Intermediate Similarity NPC207575
0.8012 Intermediate Similarity NPC469542
0.8012 Intermediate Similarity NPC271681
0.8012 Intermediate Similarity NPC167903
0.8012 Intermediate Similarity NPC180944
0.8012 Intermediate Similarity NPC121703
0.8011 Intermediate Similarity NPC312630
0.8011 Intermediate Similarity NPC324220
0.8 Intermediate Similarity NPC472054
0.8 Intermediate Similarity NPC67650
0.8 Intermediate Similarity NPC1704
0.7988 Intermediate Similarity NPC470607
0.7988 Intermediate Similarity NPC191634
0.7988 Intermediate Similarity NPC477410
0.7988 Intermediate Similarity NPC218569
0.7978 Intermediate Similarity NPC208069
0.7977 Intermediate Similarity NPC158761
0.7976 Intermediate Similarity NPC475797
0.7976 Intermediate Similarity NPC250922
0.7976 Intermediate Similarity NPC164427
0.7976 Intermediate Similarity NPC474738
0.7976 Intermediate Similarity NPC215917
0.7976 Intermediate Similarity NPC10754
0.7976 Intermediate Similarity NPC109967
0.7976 Intermediate Similarity NPC20530
0.7976 Intermediate Similarity NPC321372
0.7976 Intermediate Similarity NPC471787
0.7976 Intermediate Similarity NPC78554
0.7976 Intermediate Similarity NPC469936
0.7976 Intermediate Similarity NPC474609
0.7976 Intermediate Similarity NPC129053
0.7975 Intermediate Similarity NPC470357
0.7975 Intermediate Similarity NPC472033
0.7975 Intermediate Similarity NPC260946
0.7975 Intermediate Similarity NPC474302
0.7965 Intermediate Similarity NPC473908
0.7965 Intermediate Similarity NPC471788
0.7965 Intermediate Similarity NPC72016
0.7965 Intermediate Similarity NPC470457
0.7965 Intermediate Similarity NPC88243
0.7965 Intermediate Similarity NPC294722
0.7964 Intermediate Similarity NPC248793

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477677 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
0.8024 Intermediate Similarity NPD5402 Approved
0.7929 Intermediate Similarity NPD7075 Discontinued
0.7917 Intermediate Similarity NPD3817 Phase 2
0.7914 Intermediate Similarity NPD2533 Approved
0.7914 Intermediate Similarity NPD2534 Approved
0.7914 Intermediate Similarity NPD2532 Approved
0.7904 Intermediate Similarity NPD6801 Discontinued
0.7892 Intermediate Similarity NPD4380 Phase 2
0.7818 Intermediate Similarity NPD5403 Approved
0.7784 Intermediate Similarity NPD6599 Discontinued
0.7778 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD3818 Discontinued
0.7765 Intermediate Similarity NPD3882 Suspended
0.7764 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD6166 Phase 2
0.7759 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7753 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD6232 Discontinued
0.7744 Intermediate Similarity NPD6799 Approved
0.774 Intermediate Similarity NPD5953 Discontinued
0.773 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD7473 Discontinued
0.7697 Intermediate Similarity NPD5401 Approved
0.7697 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1934 Approved
0.7661 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD2801 Approved
0.7647 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD6797 Phase 2
0.7627 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD7286 Phase 2
0.7609 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD7251 Discontinued
0.7598 Intermediate Similarity NPD6559 Discontinued
0.7578 Intermediate Similarity NPD1510 Phase 2
0.7562 Intermediate Similarity NPD1607 Approved
0.7556 Intermediate Similarity NPD7808 Phase 3
0.7545 Intermediate Similarity NPD1512 Approved
0.7542 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7054 Approved
0.75 Intermediate Similarity NPD1652 Phase 2
0.7486 Intermediate Similarity NPD7074 Phase 3
0.7486 Intermediate Similarity NPD7472 Approved
0.7442 Intermediate Similarity NPD7819 Suspended
0.7438 Intermediate Similarity NPD1240 Approved
0.7427 Intermediate Similarity NPD7411 Suspended
0.7425 Intermediate Similarity NPD1511 Approved
0.7423 Intermediate Similarity NPD1551 Phase 2
0.7386 Intermediate Similarity NPD6959 Discontinued
0.7378 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD4628 Phase 3
0.7345 Intermediate Similarity NPD5710 Approved
0.7345 Intermediate Similarity NPD5711 Approved
0.7333 Intermediate Similarity NPD1549 Phase 2
0.7317 Intermediate Similarity NPD2935 Discontinued
0.7317 Intermediate Similarity NPD2796 Approved
0.731 Intermediate Similarity NPD3226 Approved
0.7299 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD8150 Discontinued
0.7297 Intermediate Similarity NPD8434 Phase 2
0.7284 Intermediate Similarity NPD230 Phase 1
0.7278 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD919 Approved
0.7247 Intermediate Similarity NPD7229 Phase 3
0.7246 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD5844 Phase 1
0.7216 Intermediate Similarity NPD7435 Discontinued
0.7193 Intermediate Similarity NPD920 Approved
0.7191 Intermediate Similarity NPD1247 Approved
0.7186 Intermediate Similarity NPD2800 Approved
0.7184 Intermediate Similarity NPD37 Approved
0.7167 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7033 Discontinued
0.715 Intermediate Similarity NPD6782 Approved
0.715 Intermediate Similarity NPD6777 Approved
0.715 Intermediate Similarity NPD6778 Approved
0.715 Intermediate Similarity NPD6781 Approved
0.715 Intermediate Similarity NPD6776 Approved
0.715 Intermediate Similarity NPD6779 Approved
0.715 Intermediate Similarity NPD6780 Approved
0.7135 Intermediate Similarity NPD5494 Approved
0.7135 Intermediate Similarity NPD8313 Approved
0.7135 Intermediate Similarity NPD8312 Approved
0.7134 Intermediate Similarity NPD6651 Approved
0.712 Intermediate Similarity NPD6764 Approved
0.712 Intermediate Similarity NPD6765 Approved
0.7119 Intermediate Similarity NPD3749 Approved
0.7108 Intermediate Similarity NPD6100 Approved
0.7108 Intermediate Similarity NPD6099 Approved
0.7101 Intermediate Similarity NPD6190 Approved
0.7093 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1243 Approved
0.7079 Intermediate Similarity NPD6234 Discontinued
0.7076 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD447 Suspended
0.7062 Intermediate Similarity NPD4965 Approved
0.7062 Intermediate Similarity NPD4966 Approved
0.7062 Intermediate Similarity NPD4967 Phase 2
0.7059 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD1465 Phase 2
0.7041 Intermediate Similarity NPD3750 Approved
0.7035 Intermediate Similarity NPD5049 Phase 3
0.7022 Intermediate Similarity NPD6971 Discontinued
0.7017 Intermediate Similarity NPD3926 Phase 2
0.7012 Intermediate Similarity NPD943 Approved
0.7 Intermediate Similarity NPD7874 Approved
0.7 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.6995 Remote Similarity NPD3751 Discontinued
0.6994 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7421 Clinical (unspecified phase)
0.697 Remote Similarity NPD4340 Discontinued
0.6966 Remote Similarity NPD7768 Phase 2
0.6964 Remote Similarity NPD2346 Discontinued
0.6961 Remote Similarity NPD3787 Discontinued
0.6959 Remote Similarity NPD643 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7696 Phase 3
0.6954 Remote Similarity NPD7698 Approved
0.6954 Remote Similarity NPD7697 Approved
0.695 Remote Similarity NPD8151 Discontinued
0.6947 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6946 Remote Similarity NPD651 Clinical (unspecified phase)
0.6946 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6919 Remote Similarity NPD7390 Discontinued
0.6919 Remote Similarity NPD7870 Phase 2
0.6919 Remote Similarity NPD7871 Phase 2
0.6902 Remote Similarity NPD7228 Approved
0.69 Remote Similarity NPD7701 Phase 2
0.6891 Remote Similarity NPD6534 Approved
0.6891 Remote Similarity NPD6535 Approved
0.689 Remote Similarity NPD411 Approved
0.689 Remote Similarity NPD2313 Discontinued
0.6885 Remote Similarity NPD2403 Approved
0.6882 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6871 Remote Similarity NPD6832 Phase 2
0.6845 Remote Similarity NPD4308 Phase 3
0.6845 Remote Similarity NPD7685 Pre-registration
0.6834 Remote Similarity NPD8320 Phase 1
0.6834 Remote Similarity NPD8319 Approved
0.6831 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6829 Remote Similarity NPD3027 Phase 3
0.6821 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6813 Remote Similarity NPD7199 Phase 2
0.6813 Remote Similarity NPD9717 Approved
0.6798 Remote Similarity NPD7801 Approved
0.6796 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6795 Remote Similarity NPD9493 Approved
0.6793 Remote Similarity NPD7784 Clinical (unspecified phase)
0.679 Remote Similarity NPD1203 Approved
0.6788 Remote Similarity NPD3268 Approved
0.6786 Remote Similarity NPD7700 Phase 2
0.6786 Remote Similarity NPD7699 Phase 2
0.6784 Remote Similarity NPD2654 Approved
0.6784 Remote Similarity NPD7680 Approved
0.6766 Remote Similarity NPD6355 Discontinued
0.6766 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6761 Remote Similarity NPD1653 Approved
0.6748 Remote Similarity NPD2798 Approved
0.6746 Remote Similarity NPD2799 Discontinued
0.6746 Remote Similarity NPD3748 Approved
0.6734 Remote Similarity NPD6823 Phase 2
0.6723 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7458 Discontinued
0.6722 Remote Similarity NPD5353 Approved
0.672 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6716 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6716 Remote Similarity NPD7783 Phase 2
0.6708 Remote Similarity NPD9269 Phase 2
0.6687 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6798 Discontinued
0.6667 Remote Similarity NPD4749 Approved
0.6667 Remote Similarity NPD5762 Approved
0.6667 Remote Similarity NPD6800 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5763 Approved
0.6667 Remote Similarity NPD2344 Approved
0.6667 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5124 Phase 1
0.6667 Remote Similarity NPD7440 Discontinued
0.6647 Remote Similarity NPD4062 Phase 3
0.6646 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6646 Remote Similarity NPD422 Phase 1
0.6646 Remote Similarity NPD5647 Approved
0.6634 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6628 Remote Similarity NPD2424 Discontinued
0.6625 Remote Similarity NPD1778 Approved
0.6608 Remote Similarity NPD2531 Phase 2
0.6607 Remote Similarity NPD4307 Phase 2
0.6607 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6607 Remote Similarity NPD1613 Approved
0.6607 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6606 Remote Similarity NPD9494 Approved
0.6605 Remote Similarity NPD1608 Approved
0.6604 Remote Similarity NPD9545 Approved
0.6601 Remote Similarity NPD7584 Approved

Structure

External Identifiers

PubChem CID   90676614
ChEMBL   CHEMBL3263080
ZINC  

Physicochemical Properties

Molecular Weight:  424.08
ALogP:  -0.4367
MLogP:  2.45
XLogP:  0.068
# Rotatable Bonds:  13
Polar Surface Area:  164.89
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  29

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