Natural Product: NPC471295

Natural Product ID:  NPC471295
Common Name:   Frenolicin G
IUPAC Name:   2-[(1S,3S,10aR)-4a-[[(1R,3R,10aS)-3-(carboxymethyl)-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-4a-yl]disulfanyl]-9,10a-dihydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Synonyms:  
Molecular Formula:   C36H38O14S2
Standard InCHIKey:  DRDKNATUDGQXGL-UNSFVVMRSA-N
Standard InCHI:  InChI=1S/C36H38O14S2/c1-3-7-23-35(47)31(45)27-19(9-5-11-21(27)37)29(43)33(35,15-17(49-23)13-25(39)40)51-52-34-16-18(14-26(41)42)50-24(8-4-2)36(34,48)32(46)28-20(30(34)44)10-6-12-22(28)38/h5-6,9-12,17-18,23-24,37-38,47-48H,3-4,7-8,13-16H2,1-2H3,(H,39,40)(H,41,42)/t17-,18+,23-,24+,33?,34?,35+,36-
Canonical SMILES:  CCC[C@@H]1O[C@@H](CC(=O)O)CC2([C@]1(O)C(=O)c1c(O)cccc1C2=O)SSC12C[C@@H](CC(=O)O)O[C@@H]([C@]2(O)C(=O)c2c(C1=O)cccc2O)CCC
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
NPO33097 Streptomyces sp. RM-4-15 Species Streptomycetaceae Bacteria PMID[23944931]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 80000 nM Open TG-GATES in vivo data: Hematology

  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 NPC471295 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
0.8924 High Similarity NPC44378
0.8924 High Similarity NPC280753
0.8861 High Similarity NPC94781
0.8688 High Similarity NPC120171
0.8538 High Similarity NPC183441
0.85 High Similarity NPC285122
0.8476 Intermediate Similarity NPC474621
0.8476 Intermediate Similarity NPC474622
0.8466 Intermediate Similarity NPC205918
0.8424 Intermediate Similarity NPC3449
0.8424 Intermediate Similarity NPC266469
0.8391 Intermediate Similarity NPC176246
0.8382 Intermediate Similarity NPC65118
0.8372 Intermediate Similarity NPC478021
0.8364 Intermediate Similarity NPC474824
0.8364 Intermediate Similarity NPC218870
0.8364 Intermediate Similarity NPC182921
0.8364 Intermediate Similarity NPC470408
0.8362 Intermediate Similarity NPC209865
0.8353 Intermediate Similarity NPC478020
0.8353 Intermediate Similarity NPC478022
0.8333 Intermediate Similarity NPC70862
0.8324 Intermediate Similarity NPC294501
0.8323 Intermediate Similarity NPC170055
0.8323 Intermediate Similarity NPC208651
0.8323 Intermediate Similarity NPC206641
0.8314 Intermediate Similarity NPC175477
0.8303 Intermediate Similarity NPC474533
0.8303 Intermediate Similarity NPC474534
0.8295 Intermediate Similarity NPC72783
0.8293 Intermediate Similarity NPC315520
0.8274 Intermediate Similarity NPC314795
0.8263 Intermediate Similarity NPC474861
0.8263 Intermediate Similarity NPC478027
0.8261 Intermediate Similarity NPC48130
0.8261 Intermediate Similarity NPC218866
0.8261 Intermediate Similarity NPC300684
0.8261 Intermediate Similarity NPC84568
0.8253 Intermediate Similarity NPC205172
0.8253 Intermediate Similarity NPC209393
0.8246 Intermediate Similarity NPC329647
0.8246 Intermediate Similarity NPC470735
0.8235 Intermediate Similarity NPC187934
0.8235 Intermediate Similarity NPC97637
0.8204 Intermediate Similarity NPC192219
0.8204 Intermediate Similarity NPC174599
0.8204 Intermediate Similarity NPC82190
0.8166 Intermediate Similarity NPC53139
0.8155 Intermediate Similarity NPC148323
0.8155 Intermediate Similarity NPC283480
0.8148 Intermediate Similarity NPC103910
0.8146 Intermediate Similarity NPC208069
0.814 Intermediate Similarity NPC478026
0.8125 Intermediate Similarity NPC470583
0.8125 Intermediate Similarity NPC19056
0.8114 Intermediate Similarity NPC270027
0.811 Intermediate Similarity NPC119767
0.8107 Intermediate Similarity NPC29552
0.8095 Intermediate Similarity NPC314257
0.8079 Intermediate Similarity NPC289876
0.8072 Intermediate Similarity NPC77719
0.8072 Intermediate Similarity NPC475407
0.8068 Intermediate Similarity NPC203751
0.8063 Intermediate Similarity NPC103337
0.8063 Intermediate Similarity NPC114620
0.8061 Intermediate Similarity NPC470479
0.8061 Intermediate Similarity NPC142846
0.8059 Intermediate Similarity NPC326084
0.8049 Intermediate Similarity NPC147250
0.8049 Intermediate Similarity NPC120536
0.8045 Intermediate Similarity NPC477860
0.8045 Intermediate Similarity NPC475161
0.8037 Intermediate Similarity NPC79627
0.8036 Intermediate Similarity NPC137301
0.8036 Intermediate Similarity NPC312482
0.8034 Intermediate Similarity NPC266513
0.8034 Intermediate Similarity NPC470581
0.8034 Intermediate Similarity NPC83331
0.8034 Intermediate Similarity NPC470582
0.8034 Intermediate Similarity NPC115447
0.8025 Intermediate Similarity NPC474300
0.8024 Intermediate Similarity NPC114410
0.8024 Intermediate Similarity NPC112523
0.8023 Intermediate Similarity NPC470667
0.8023 Intermediate Similarity NPC186800
0.8012 Intermediate Similarity NPC475449
0.8012 Intermediate Similarity NPC284495
0.8012 Intermediate Similarity NPC315578
0.8012 Intermediate Similarity NPC474310
0.8011 Intermediate Similarity NPC473113
0.8 Intermediate Similarity NPC112216
0.8 Intermediate Similarity NPC472135
0.8 Intermediate Similarity NPC472889
0.8 Intermediate Similarity NPC313452
0.8 Intermediate Similarity NPC317580
0.7989 Intermediate Similarity NPC187441
0.7989 Intermediate Similarity NPC283980
0.7989 Intermediate Similarity NPC58538
0.7988 Intermediate Similarity NPC472807
0.7988 Intermediate Similarity NPC472890
0.7988 Intermediate Similarity NPC318270
0.7988 Intermediate Similarity NPC66029
0.7978 Intermediate Similarity NPC102053
0.7978 Intermediate Similarity NPC314672
0.7976 Intermediate Similarity NPC115249
0.7975 Intermediate Similarity NPC471682
0.7975 Intermediate Similarity NPC21873
0.7975 Intermediate Similarity NPC476473
0.7965 Intermediate Similarity NPC472261
0.7964 Intermediate Similarity NPC205766
0.7964 Intermediate Similarity NPC249471
0.7964 Intermediate Similarity NPC158333
0.7964 Intermediate Similarity NPC237549
0.7964 Intermediate Similarity NPC265395
0.7964 Intermediate Similarity NPC473414
0.7964 Intermediate Similarity NPC472030
0.7964 Intermediate Similarity NPC257213
0.7964 Intermediate Similarity NPC1173
0.7964 Intermediate Similarity NPC472022
0.7964 Intermediate Similarity NPC256142
0.7964 Intermediate Similarity NPC304876
0.7964 Intermediate Similarity NPC472005
0.7964 Intermediate Similarity NPC242262
0.7963 Intermediate Similarity NPC471444
0.7963 Intermediate Similarity NPC257003
0.7955 Intermediate Similarity NPC470580
0.7953 Intermediate Similarity NPC471750
0.795 Intermediate Similarity NPC295339
0.795 Intermediate Similarity NPC26924
0.7944 Intermediate Similarity NPC85316
0.7944 Intermediate Similarity NPC315221
0.7944 Intermediate Similarity NPC197357
0.7939 Intermediate Similarity NPC136878
0.7939 Intermediate Similarity NPC314437
0.7933 Intermediate Similarity NPC477682
0.7933 Intermediate Similarity NPC477683
0.7931 Intermediate Similarity NPC178281
0.7929 Intermediate Similarity NPC478231
0.7927 Intermediate Similarity NPC29932
0.7923 Intermediate Similarity NPC205721
0.7921 Intermediate Similarity NPC294149
0.7917 Intermediate Similarity NPC228204
0.7917 Intermediate Similarity NPC26033
0.7914 Intermediate Similarity NPC469520
0.7914 Intermediate Similarity NPC85310
0.7914 Intermediate Similarity NPC257644
0.7912 Intermediate Similarity NPC87583
0.7912 Intermediate Similarity NPC112380
0.791 Intermediate Similarity NPC477836
0.7907 Intermediate Similarity NPC472055
0.7904 Intermediate Similarity NPC327962
0.7904 Intermediate Similarity NPC478219
0.7895 Intermediate Similarity NPC478225
0.7892 Intermediate Similarity NPC198455
0.7892 Intermediate Similarity NPC7095
0.7892 Intermediate Similarity NPC161239
0.7892 Intermediate Similarity NPC165260
0.7892 Intermediate Similarity NPC215593
0.7888 Intermediate Similarity NPC61590
0.7886 Intermediate Similarity NPC469419
0.7886 Intermediate Similarity NPC477835
0.7884 Intermediate Similarity NPC314941
0.7882 Intermediate Similarity NPC478221
0.7882 Intermediate Similarity NPC317585
0.7882 Intermediate Similarity NPC478230
0.7882 Intermediate Similarity NPC478133
0.7882 Intermediate Similarity NPC69043
0.7879 Intermediate Similarity NPC471683
0.7877 Intermediate Similarity NPC469345
0.7877 Intermediate Similarity NPC66820
0.7877 Intermediate Similarity NPC76112
0.7877 Intermediate Similarity NPC170018
0.7877 Intermediate Similarity NPC92403
0.7877 Intermediate Similarity NPC46958
0.7877 Intermediate Similarity NPC475246
0.787 Intermediate Similarity NPC76041
0.787 Intermediate Similarity NPC478224
0.787 Intermediate Similarity NPC184284
0.7865 Intermediate Similarity NPC154986
0.7865 Intermediate Similarity NPC85368
0.7865 Intermediate Similarity NPC472054
0.7865 Intermediate Similarity NPC471871
0.7857 Intermediate Similarity NPC292706
0.7857 Intermediate Similarity NPC56204
0.7857 Intermediate Similarity NPC472891
0.7857 Intermediate Similarity NPC224557
0.7853 Intermediate Similarity NPC472803
0.7853 Intermediate Similarity NPC313304
0.7849 Intermediate Similarity NPC470339
0.7844 Intermediate Similarity NPC473719
0.7841 Intermediate Similarity NPC105414
0.7841 Intermediate Similarity NPC63470
0.7841 Intermediate Similarity NPC324522
0.7841 Intermediate Similarity NPC470341
0.7841 Intermediate Similarity NPC107009
0.7841 Intermediate Similarity NPC234497
0.7841 Intermediate Similarity NPC472058
0.7841 Intermediate Similarity NPC473094
0.784 Intermediate Similarity NPC216312
0.784 Intermediate Similarity NPC29771

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471295 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
0.8268 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8146 Intermediate Similarity NPD8150 Discontinued
0.7884 Intermediate Similarity NPD8320 Phase 1
0.7884 Intermediate Similarity NPD8319 Approved
0.7877 Intermediate Similarity NPD8313 Approved
0.7877 Intermediate Similarity NPD8312 Approved
0.7849 Intermediate Similarity NPD7700 Phase 2
0.7849 Intermediate Similarity NPD7699 Phase 2
0.7737 Intermediate Similarity NPD7435 Discontinued
0.7688 Intermediate Similarity NPD7075 Discontinued
0.7688 Intermediate Similarity NPD6534 Approved
0.7688 Intermediate Similarity NPD6535 Approved
0.7663 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7644 Intermediate Similarity NPD7697 Approved
0.7644 Intermediate Similarity NPD7698 Approved
0.7644 Intermediate Similarity NPD7696 Phase 3
0.7616 Intermediate Similarity NPD7819 Suspended
0.759 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD7874 Approved
0.7584 Intermediate Similarity NPD7473 Discontinued
0.7579 Intermediate Similarity NPD6779 Approved
0.7579 Intermediate Similarity NPD6778 Approved
0.7579 Intermediate Similarity NPD6781 Approved
0.7579 Intermediate Similarity NPD6782 Approved
0.7579 Intermediate Similarity NPD6777 Approved
0.7579 Intermediate Similarity NPD6780 Approved
0.7579 Intermediate Similarity NPD6776 Approved
0.7577 Intermediate Similarity NPD7701 Phase 2
0.7557 Intermediate Similarity NPD6959 Discontinued
0.7528 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD6166 Phase 2
0.7516 Intermediate Similarity NPD1470 Approved
0.7514 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD6232 Discontinued
0.7514 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD7870 Phase 2
0.7513 Intermediate Similarity NPD7871 Phase 2
0.75 Intermediate Similarity NPD5404 Approved
0.75 Intermediate Similarity NPD5408 Approved
0.75 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7390 Discontinued
0.75 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5406 Approved
0.75 Intermediate Similarity NPD5405 Approved
0.7485 Intermediate Similarity NPD3226 Approved
0.7442 Intermediate Similarity NPD4380 Phase 2
0.7439 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD6190 Approved
0.7374 Intermediate Similarity NPD7801 Approved
0.7366 Intermediate Similarity NPD8434 Phase 2
0.736 Intermediate Similarity NPD8151 Discontinued
0.7353 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD7808 Phase 3
0.7333 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD7251 Discontinued
0.7273 Intermediate Similarity NPD5402 Approved
0.7273 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD7074 Phase 3
0.7263 Intermediate Similarity NPD6213 Phase 3
0.7263 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD6212 Phase 3
0.7261 Intermediate Similarity NPD1201 Approved
0.7257 Intermediate Similarity NPD6801 Discontinued
0.7253 Intermediate Similarity NPD3751 Discontinued
0.7228 Intermediate Similarity NPD6797 Phase 2
0.722 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD8166 Discontinued
0.7216 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD5844 Phase 1
0.7213 Intermediate Similarity NPD7054 Approved
0.72 Intermediate Similarity NPD7411 Suspended
0.7191 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD3817 Phase 2
0.7174 Intermediate Similarity NPD7472 Approved
0.7159 Intermediate Similarity NPD1934 Approved
0.7151 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6823 Phase 2
0.7143 Intermediate Similarity NPD6599 Discontinued
0.7143 Intermediate Similarity NPD2346 Discontinued
0.7135 Intermediate Similarity NPD3300 Phase 2
0.7135 Intermediate Similarity NPD7768 Phase 2
0.7127 Intermediate Similarity NPD3787 Discontinued
0.7114 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD7783 Phase 2
0.7095 Intermediate Similarity NPD3749 Approved
0.7093 Intermediate Similarity NPD6799 Approved
0.7086 Intermediate Similarity NPD7458 Discontinued
0.7073 Intermediate Similarity NPD3764 Approved
0.7069 Intermediate Similarity NPD5403 Approved
0.7052 Intermediate Similarity NPD2532 Approved
0.7052 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD2534 Approved
0.7052 Intermediate Similarity NPD2533 Approved
0.7039 Intermediate Similarity NPD3882 Suspended
0.7024 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD1465 Phase 2
0.7022 Intermediate Similarity NPD8455 Phase 2
0.7018 Intermediate Similarity NPD4628 Phase 3
0.7017 Intermediate Similarity NPD5494 Approved
0.7005 Intermediate Similarity NPD6559 Discontinued
0.699 Remote Similarity NPD8285 Discontinued
0.6988 Remote Similarity NPD943 Approved
0.6982 Remote Similarity NPD2935 Discontinued
0.6973 Remote Similarity NPD3818 Discontinued
0.6973 Remote Similarity NPD7228 Approved
0.6959 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5401 Approved
0.6954 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5953 Discontinued
0.6941 Remote Similarity NPD7266 Discontinued
0.6935 Remote Similarity NPD7286 Phase 2
0.6927 Remote Similarity NPD2801 Approved
0.6915 Remote Similarity NPD7685 Pre-registration
0.6901 Remote Similarity NPD970 Clinical (unspecified phase)
0.6901 Remote Similarity NPD1549 Phase 2
0.6893 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6882 Remote Similarity NPD7799 Discontinued
0.6842 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6839 Remote Similarity NPD8361 Approved
0.6839 Remote Similarity NPD8360 Approved
0.6839 Remote Similarity NPD7236 Approved
0.6824 Remote Similarity NPD1510 Phase 2
0.6821 Remote Similarity NPD3750 Approved
0.6821 Remote Similarity NPD7003 Approved
0.6818 Remote Similarity NPD1512 Approved
0.6802 Remote Similarity NPD8485 Approved
0.6789 Remote Similarity NPD5028 Approved
0.6789 Remote Similarity NPD5034 Approved
0.6789 Remote Similarity NPD4955 Approved
0.6789 Remote Similarity NPD5026 Approved
0.6789 Remote Similarity NPD4954 Approved
0.6789 Remote Similarity NPD36 Approved
0.6786 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6776 Remote Similarity NPD6234 Discontinued
0.6772 Remote Similarity NPD405 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7057 Phase 3
0.6758 Remote Similarity NPD7058 Phase 2
0.6753 Remote Similarity NPD8435 Approved
0.6746 Remote Similarity NPD230 Phase 1
0.6742 Remote Similarity NPD7239 Suspended
0.6737 Remote Similarity NPD5030 Phase 2
0.6737 Remote Similarity NPD8368 Discontinued
0.6736 Remote Similarity NPD5037 Approved
0.6736 Remote Similarity NPD5038 Approved
0.6729 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6729 Remote Similarity NPD8059 Phase 3
0.6726 Remote Similarity NPD6663 Approved
0.6725 Remote Similarity NPD2799 Discontinued
0.6725 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6273 Approved
0.6706 Remote Similarity NPD1607 Approved
0.6705 Remote Similarity NPD1511 Approved
0.6703 Remote Similarity NPD8127 Discontinued
0.6702 Remote Similarity NPD7177 Discontinued
0.67 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6687 Remote Similarity NPD5736 Approved
0.6686 Remote Similarity NPD2796 Approved
0.6686 Remote Similarity NPD1240 Approved
0.6685 Remote Similarity NPD37 Approved
0.6684 Remote Similarity NPD5036 Approved
0.6667 Remote Similarity NPD2313 Discontinued
0.6667 Remote Similarity NPD4967 Phase 2
0.6667 Remote Similarity NPD7097 Phase 1
0.6667 Remote Similarity NPD4965 Approved
0.6667 Remote Similarity NPD1164 Approved
0.6667 Remote Similarity NPD5711 Approved
0.6667 Remote Similarity NPD7229 Phase 3
0.6667 Remote Similarity NPD4966 Approved
0.6667 Remote Similarity NPD5710 Approved
0.6649 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7240 Approved
0.6632 Remote Similarity NPD8407 Phase 2
0.6629 Remote Similarity NPD5049 Phase 3
0.6629 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6627 Remote Similarity NPD7961 Discontinued
0.6601 Remote Similarity NPD7680 Approved
0.6595 Remote Similarity NPD5537 Clinical (unspecified phase)
0.659 Remote Similarity NPD1551 Phase 2
0.6588 Remote Similarity NPD4060 Phase 1
0.6584 Remote Similarity NPD9545 Approved
0.658 Remote Similarity NPD5035 Approved
0.6568 Remote Similarity NPD6798 Discontinued
0.6562 Remote Similarity NPD5029 Approved
0.6562 Remote Similarity NPD5031 Approved
0.6562 Remote Similarity NPD5027 Approved
0.6562 Remote Similarity NPD6764 Approved
0.6562 Remote Similarity NPD6765 Approved
0.6552 Remote Similarity NPD1471 Phase 3
0.6552 Remote Similarity NPD2344 Approved
0.655 Remote Similarity NPD6355 Discontinued
0.6548 Remote Similarity NPD6832 Phase 2
0.6543 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6543 Remote Similarity NPD3926 Phase 2

Structure

External Identifiers

PubChem CID   73352161
ChEMBL   CHEMBL2409148
ZINC  

Physicochemical Properties

Molecular Weight:  758.17
ALogP:  -4.3128
MLogP:  3.66
XLogP:  0.718
# Rotatable Bonds:  19
Polar Surface Area:  292.86
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  52

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Biological Activities  
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