Natural Product: NPC5674

Natural Product ID:  NPC5674
Common Name:   19,20-Dehydroedulisone A
IUPAC Name:   methyl (6R,7S,8R)-10-methoxy-6-(4-methoxyphenyl)-8-[(2R)-2-(3-methylbut-2-enoylamino)pyrrolidine-1-carbonyl]-9-oxo-7-phenyl-7,8-dihydro-[1,3]dioxolo[4,5-h][1]benzoxepine-6-carboxylate
Synonyms:  
Molecular Formula:   C37H38N2O10
Standard InCHIKey:  LBTBAFBRJMLHSK-RJOONWIBSA-N
Standard InCHI:  InChI=1S/C37H38N2O10/c1-21(2)18-28(40)38-27-12-9-17-39(27)35(42)30-31(22-10-7-6-8-11-22)37(36(43)46-5,23-13-15-24(44-3)16-14-23)49-25-19-26-33(48-20-47-26)34(45-4)29(25)32(30)41/h6-8,10-11,13-16,18-19,27,30-31H,9,12,17,20H2,1-5H3,(H,38,40)/t27-,30-,31-,37+/m1/s1
Canonical SMILES:  COc1ccc(cc1)[C@@]1(Oc2cc3OCOc3c(c2C(=O)[C@@H]([C@H]1c1ccccc1)C(=O)N1CCC[C@@H]1N=C(C=C(C)C)O)OC)C(=O)OC
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
NPO3902 Aglaia edulis Species Meliaceae Eukaryota PMID[17190457]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT737 Cell Line HUVEC Homo sapiens ED50 > 5 ug/ml 20106559
NPT858 Cell Line LNCaP Homo sapiens ED50 > 5 ug/ml 20450206
NPT83 Cell Line MCF7 Homo sapiens ED50 > 5 ug/ml 20450206
NPT1034 Cell Line Lu1 Homo sapiens ED50 > 5 ug/ml 8021914

  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 NPC5674 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
0.9755 High Similarity NPC470847
0.8685 High Similarity NPC470846
0.8433 Intermediate Similarity NPC475624
0.8387 Intermediate Similarity NPC475442
0.8303 Intermediate Similarity NPC475292
0.8303 Intermediate Similarity NPC475565
0.8303 Intermediate Similarity NPC475349
0.7944 Intermediate Similarity NPC258128
0.787 Intermediate Similarity NPC293347
0.785 Intermediate Similarity NPC169605
0.7729 Intermediate Similarity NPC18306
0.7725 Intermediate Similarity NPC470646
0.7721 Intermediate Similarity NPC235698
0.7696 Intermediate Similarity NPC79130
0.7489 Intermediate Similarity NPC80472
0.7488 Intermediate Similarity NPC83019
0.7442 Intermediate Similarity NPC204580
0.7426 Intermediate Similarity NPC131557
0.7419 Intermediate Similarity NPC476661
0.7415 Intermediate Similarity NPC113093
0.7403 Intermediate Similarity NPC314987
0.7385 Intermediate Similarity NPC476662
0.7379 Intermediate Similarity NPC76482
0.7376 Intermediate Similarity NPC104459
0.7376 Intermediate Similarity NPC238405
0.7376 Intermediate Similarity NPC257914
0.7371 Intermediate Similarity NPC470642
0.7366 Intermediate Similarity NPC187923
0.7349 Intermediate Similarity NPC471563
0.7315 Intermediate Similarity NPC308709
0.7282 Intermediate Similarity NPC267153
0.7273 Intermediate Similarity NPC328700
0.7273 Intermediate Similarity NPC475825
0.7273 Intermediate Similarity NPC119818
0.7273 Intermediate Similarity NPC202771
0.7273 Intermediate Similarity NPC2173
0.7273 Intermediate Similarity NPC223375
0.7268 Intermediate Similarity NPC469575
0.7256 Intermediate Similarity NPC226708
0.7256 Intermediate Similarity NPC475360
0.7251 Intermediate Similarity NPC156635
0.7251 Intermediate Similarity NPC472380
0.7251 Intermediate Similarity NPC472384
0.7251 Intermediate Similarity NPC472382
0.7243 Intermediate Similarity NPC470416
0.7241 Intermediate Similarity NPC258644
0.724 Intermediate Similarity NPC470450
0.7238 Intermediate Similarity NPC477881
0.7233 Intermediate Similarity NPC284007
0.7204 Intermediate Similarity NPC264735
0.7204 Intermediate Similarity NPC290304
0.7204 Intermediate Similarity NPC236327
0.7204 Intermediate Similarity NPC66804
0.72 Intermediate Similarity NPC14390
0.7198 Intermediate Similarity NPC88243
0.7196 Intermediate Similarity NPC36138
0.7195 Intermediate Similarity NPC286135
0.7192 Intermediate Similarity NPC257277
0.719 Intermediate Similarity NPC475964
0.719 Intermediate Similarity NPC476772
0.7189 Intermediate Similarity NPC295436
0.7184 Intermediate Similarity NPC93739
0.7177 Intermediate Similarity NPC280493
0.7177 Intermediate Similarity NPC211309
0.7171 Intermediate Similarity NPC269906
0.717 Intermediate Similarity NPC24258
0.717 Intermediate Similarity NPC268533
0.717 Intermediate Similarity NPC211532
0.717 Intermediate Similarity NPC233994
0.717 Intermediate Similarity NPC472385
0.717 Intermediate Similarity NPC198324
0.717 Intermediate Similarity NPC154741
0.717 Intermediate Similarity NPC296018
0.7169 Intermediate Similarity NPC124302
0.7169 Intermediate Similarity NPC73020
0.7169 Intermediate Similarity NPC14622
0.7169 Intermediate Similarity NPC46744
0.7169 Intermediate Similarity NPC70290
0.7169 Intermediate Similarity NPC215098
0.7163 Intermediate Similarity NPC71260
0.7163 Intermediate Similarity NPC470451
0.7163 Intermediate Similarity NPC470455
0.7157 Intermediate Similarity NPC474990
0.7156 Intermediate Similarity NPC62640
0.7156 Intermediate Similarity NPC474568
0.715 Intermediate Similarity NPC110257
0.7143 Intermediate Similarity NPC476641
0.7143 Intermediate Similarity NPC477883
0.7143 Intermediate Similarity NPC122623
0.7143 Intermediate Similarity NPC284353
0.7143 Intermediate Similarity NPC72696
0.7143 Intermediate Similarity NPC276059
0.7143 Intermediate Similarity NPC241774
0.7143 Intermediate Similarity NPC34725
0.7136 Intermediate Similarity NPC297807
0.7136 Intermediate Similarity NPC477880
0.7136 Intermediate Similarity NPC477895
0.7136 Intermediate Similarity NPC98546
0.7136 Intermediate Similarity NPC29587
0.7136 Intermediate Similarity NPC476773
0.7136 Intermediate Similarity NPC472387
0.7136 Intermediate Similarity NPC241196
0.7136 Intermediate Similarity NPC477882
0.7136 Intermediate Similarity NPC67302
0.7129 Intermediate Similarity NPC42892
0.7129 Intermediate Similarity NPC292460
0.7124 Intermediate Similarity NPC197125
0.7123 Intermediate Similarity NPC210094
0.7123 Intermediate Similarity NPC101191
0.7123 Intermediate Similarity NPC43211
0.7123 Intermediate Similarity NPC49344
0.7123 Intermediate Similarity NPC237435
0.7123 Intermediate Similarity NPC477848
0.7123 Intermediate Similarity NPC115760
0.7123 Intermediate Similarity NPC135277
0.7116 Intermediate Similarity NPC471842
0.7116 Intermediate Similarity NPC473072
0.7116 Intermediate Similarity NPC470445
0.7116 Intermediate Similarity NPC473883
0.7116 Intermediate Similarity NPC470447
0.7116 Intermediate Similarity NPC470449
0.7116 Intermediate Similarity NPC474009
0.7116 Intermediate Similarity NPC470446
0.7116 Intermediate Similarity NPC35924
0.7116 Intermediate Similarity NPC199172
0.7115 Intermediate Similarity NPC8070
0.7115 Intermediate Similarity NPC280893
0.7109 Intermediate Similarity NPC157522
0.7109 Intermediate Similarity NPC476370
0.7109 Intermediate Similarity NPC472386
0.7108 Intermediate Similarity NPC178854
0.7104 Intermediate Similarity NPC3474
0.7104 Intermediate Similarity NPC314100
0.7104 Intermediate Similarity NPC226652
0.7104 Intermediate Similarity NPC120671
0.7104 Intermediate Similarity NPC72788
0.7103 Intermediate Similarity NPC236089
0.7101 Intermediate Similarity NPC76687
0.7101 Intermediate Similarity NPC316292
0.7101 Intermediate Similarity NPC302741
0.7101 Intermediate Similarity NPC478199
0.7095 Intermediate Similarity NPC476771
0.7094 Intermediate Similarity NPC244371
0.7094 Intermediate Similarity NPC279930
0.7089 Intermediate Similarity NPC196771
0.7089 Intermediate Similarity NPC156955
0.7089 Intermediate Similarity NPC471841
0.7083 Intermediate Similarity NPC470713
0.7083 Intermediate Similarity NPC470720
0.7083 Intermediate Similarity NPC21359
0.7083 Intermediate Similarity NPC460984
0.7083 Intermediate Similarity NPC106700
0.7083 Intermediate Similarity NPC470717
0.7083 Intermediate Similarity NPC25946
0.7081 Intermediate Similarity NPC475214
0.7078 Intermediate Similarity NPC477258
0.7076 Intermediate Similarity NPC315914
0.7075 Intermediate Similarity NPC4390
0.7075 Intermediate Similarity NPC175230
0.7075 Intermediate Similarity NPC169977
0.7075 Intermediate Similarity NPC172033
0.7075 Intermediate Similarity NPC45522
0.7075 Intermediate Similarity NPC476374
0.7075 Intermediate Similarity NPC65885
0.7075 Intermediate Similarity NPC72455
0.7075 Intermediate Similarity NPC216842
0.7075 Intermediate Similarity NPC21666
0.7075 Intermediate Similarity NPC88560
0.7075 Intermediate Similarity NPC42773
0.7075 Intermediate Similarity NPC101026
0.7075 Intermediate Similarity NPC82217
0.7075 Intermediate Similarity NPC24043
0.7075 Intermediate Similarity NPC476640
0.7073 Intermediate Similarity NPC310206
0.707 Intermediate Similarity NPC469371
0.707 Intermediate Similarity NPC473073
0.707 Intermediate Similarity NPC475996
0.707 Intermediate Similarity NPC47883
0.707 Intermediate Similarity NPC473071
0.707 Intermediate Similarity NPC6709
0.7067 Intermediate Similarity NPC300984
0.7067 Intermediate Similarity NPC470178
0.7062 Intermediate Similarity NPC72249
0.7062 Intermediate Similarity NPC212748
0.7059 Intermediate Similarity NPC32557
0.7059 Intermediate Similarity NPC313453
0.7059 Intermediate Similarity NPC189960
0.7056 Intermediate Similarity NPC217520
0.7056 Intermediate Similarity NPC476619
0.7056 Intermediate Similarity NPC168584
0.7056 Intermediate Similarity NPC139571
0.7056 Intermediate Similarity NPC476621
0.7056 Intermediate Similarity NPC476623
0.7056 Intermediate Similarity NPC476620
0.7056 Intermediate Similarity NPC82056
0.7056 Intermediate Similarity NPC206061
0.7056 Intermediate Similarity NPC35167
0.7056 Intermediate Similarity NPC476622
0.7056 Intermediate Similarity NPC476618
0.7053 Intermediate Similarity NPC162668

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC5674 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
0.7581 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD8469 Approved
0.7273 Intermediate Similarity NPD5006 Approved
0.7273 Intermediate Similarity NPD5005 Approved
0.7217 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD4420 Approved
0.7123 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3817 Phase 2
0.7042 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7296 Approved
0.6986 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6974 Remote Similarity NPD7874 Approved
0.6974 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6967 Remote Similarity NPD3818 Discontinued
0.6963 Remote Similarity NPD7808 Phase 3
0.6962 Remote Similarity NPD8059 Phase 3
0.6962 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6955 Remote Similarity NPD4413 Clinical (unspecified phase)
0.6943 Remote Similarity NPD7801 Approved
0.692 Remote Similarity NPD8491 Approved
0.6919 Remote Similarity NPD7473 Discontinued
0.6916 Remote Similarity NPD7584 Approved
0.6894 Remote Similarity NPD8366 Approved
0.6887 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7701 Phase 2
0.6884 Remote Similarity NPD7549 Discontinued
0.6881 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6872 Remote Similarity NPD4846 Phase 2
0.6872 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6866 Remote Similarity NPD8055 Clinical (unspecified phase)
0.686 Remote Similarity NPD3882 Suspended
0.6856 Remote Similarity NPD8151 Discontinued
0.6852 Remote Similarity NPD7281 Phase 3
0.6852 Remote Similarity NPD7280 Phase 3
0.6845 Remote Similarity NPD2801 Approved
0.6842 Remote Similarity NPD5494 Approved
0.684 Remote Similarity NPD7827 Phase 1
0.6837 Remote Similarity NPD7251 Discontinued
0.6835 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6822 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7074 Phase 3
0.6822 Remote Similarity NPD7907 Approved
0.681 Remote Similarity NPD7199 Phase 2
0.68 Remote Similarity NPD5457 Discontinued
0.6797 Remote Similarity NPD7783 Phase 2
0.6797 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6792 Remote Similarity NPD6166 Phase 2
0.6792 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6792 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6791 Remote Similarity NPD6797 Phase 2
0.6784 Remote Similarity NPD7435 Discontinued
0.6777 Remote Similarity NPD6232 Discontinued
0.6776 Remote Similarity NPD7054 Approved
0.6771 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6754 Remote Similarity NPD8320 Phase 1
0.6754 Remote Similarity NPD8319 Approved
0.6749 Remote Similarity NPD6625 Approved
0.6748 Remote Similarity NPD6386 Approved
0.6748 Remote Similarity NPD6385 Approved
0.6745 Remote Similarity NPD3926 Phase 2
0.6744 Remote Similarity NPD7472 Approved
0.6741 Remote Similarity NPD2975 Approved
0.6741 Remote Similarity NPD2974 Approved
0.6741 Remote Similarity NPD2973 Approved
0.6736 Remote Similarity NPD8067 Phase 3
0.673 Remote Similarity NPD1247 Approved
0.6726 Remote Similarity NPD4580 Approved
0.6723 Remote Similarity NPD8404 Phase 2
0.6712 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6699 Remote Similarity NPD4965 Approved
0.6699 Remote Similarity NPD4966 Approved
0.6699 Remote Similarity NPD4967 Phase 2
0.6698 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6697 Remote Similarity NPD6836 Approved
0.6697 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6696 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6696 Remote Similarity NPD2493 Approved
0.6696 Remote Similarity NPD7583 Approved
0.6696 Remote Similarity NPD2494 Approved
0.6696 Remote Similarity NPD4361 Phase 2
0.6681 Remote Similarity NPD7871 Phase 2
0.6681 Remote Similarity NPD7870 Phase 2
0.6681 Remote Similarity NPD4582 Approved
0.6681 Remote Similarity NPD4583 Approved
0.6667 Remote Similarity NPD7048 Phase 3
0.6667 Remote Similarity NPD7075 Discontinued
0.6667 Remote Similarity NPD7585 Approved
0.6667 Remote Similarity NPD5242 Approved
0.6651 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6651 Remote Similarity NPD5402 Approved
0.6651 Remote Similarity NPD7177 Discontinued
0.665 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6638 Remote Similarity NPD7698 Approved
0.6638 Remote Similarity NPD7930 Approved
0.6638 Remote Similarity NPD7697 Approved
0.6638 Remote Similarity NPD7696 Phase 3
0.6638 Remote Similarity NPD4004 Approved
0.6638 Remote Similarity NPD4002 Approved
0.6636 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6635 Remote Similarity NPD6234 Discontinued
0.6635 Remote Similarity NPD1934 Approved
0.6627 Remote Similarity NPD8492 Approved
0.6623 Remote Similarity NPD3452 Approved
0.6623 Remote Similarity NPD3450 Approved
0.662 Remote Similarity NPD5844 Phase 1
0.6619 Remote Similarity NPD4868 Clinical (unspecified phase)
0.661 Remote Similarity NPD7047 Phase 3
0.6608 Remote Similarity NPD8285 Discontinued
0.6608 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6607 Remote Similarity NPD4466 Phase 1
0.6603 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6603 Remote Similarity NPD7819 Suspended
0.6601 Remote Similarity NPD8367 Approved
0.6597 Remote Similarity NPD4665 Approved
0.6597 Remote Similarity NPD4111 Phase 1
0.6594 Remote Similarity NPD6823 Phase 2
0.6592 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6589 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6587 Remote Similarity NPD7110 Phase 1
0.6587 Remote Similarity NPD7411 Suspended
0.6583 Remote Similarity NPD6997 Phase 2
0.6579 Remote Similarity NPD6781 Approved
0.6579 Remote Similarity NPD6780 Approved
0.6579 Remote Similarity NPD6779 Approved
0.6579 Remote Similarity NPD6782 Approved
0.6579 Remote Similarity NPD6776 Approved
0.6579 Remote Similarity NPD6778 Approved
0.6579 Remote Similarity NPD4107 Approved
0.6579 Remote Similarity NPD6777 Approved
0.6578 Remote Similarity NPD4363 Phase 3
0.6578 Remote Similarity NPD4360 Phase 2
0.6576 Remote Similarity NPD8461 Discontinued
0.6571 Remote Similarity NPD5353 Approved
0.6569 Remote Similarity NPD6799 Approved
0.6557 Remote Similarity NPD919 Approved
0.6555 Remote Similarity NPD37 Approved
0.6555 Remote Similarity NPD6801 Discontinued
0.6553 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6547 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6545 Remote Similarity NPD2968 Approved
0.6545 Remote Similarity NPD2971 Approved
0.654 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6876 Approved
0.6538 Remote Similarity NPD6875 Approved
0.6538 Remote Similarity NPD6599 Discontinued
0.6537 Remote Similarity NPD3146 Approved
0.6537 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6535 Remote Similarity NPD7811 Phase 3
0.6535 Remote Similarity NPD7810 Phase 3
0.6535 Remote Similarity NPD2654 Approved
0.6532 Remote Similarity NPD8150 Discontinued
0.653 Remote Similarity NPD7039 Approved
0.653 Remote Similarity NPD6559 Discontinued
0.653 Remote Similarity NPD7038 Approved
0.6524 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6518 Remote Similarity NPD2488 Approved
0.6518 Remote Similarity NPD2490 Approved
0.6509 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6505 Remote Similarity NPD1512 Approved
0.6504 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6502 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6502 Remote Similarity NPD7224 Discontinued
0.6502 Remote Similarity NPD7223 Discontinued
0.6498 Remote Similarity NPD7228 Approved
0.6481 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6481 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6478 Remote Similarity NPD4482 Phase 3
0.6476 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6473 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5711 Approved
0.6465 Remote Similarity NPD5710 Approved
0.6465 Remote Similarity NPD6808 Phase 2
0.6463 Remote Similarity NPD7565 Approved
0.6457 Remote Similarity NPD8434 Phase 2
0.6456 Remote Similarity NPD4378 Clinical (unspecified phase)
0.645 Remote Similarity NPD6863 Phase 2
0.645 Remote Similarity NPD3057 Approved
0.6447 Remote Similarity NPD7282 Approved
0.6444 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6441 Remote Similarity NPD8407 Phase 2
0.6438 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6435 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6432 Remote Similarity NPD3749 Approved
0.6429 Remote Similarity NPD7291 Discontinued
0.6429 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6419 Remote Similarity NPD7699 Phase 2
0.6419 Remote Similarity NPD7700 Phase 2
0.6408 Remote Similarity NPD7837 Clinical (unspecified phase)
0.6408 Remote Similarity NPD1511 Approved
0.6402 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6398 Remote Similarity NPD6844 Discontinued
0.6398 Remote Similarity NPD7708 Approved
0.639 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6387 Remote Similarity NPD4377 Discontinued
0.6379 Remote Similarity NPD2972 Approved
0.6379 Remote Similarity NPD3533 Approved

Structure

External Identifiers

PubChem CID   16099506
ChEMBL   CHEMBL450430
ZINC  

Physicochemical Properties

Molecular Weight:  670.25
ALogP:  -1.6277
MLogP:  4.21
XLogP:  5.591
# Rotatable Bonds:  16
Polar Surface Area:  142.42
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  6
# Heavy Atoms:  49

Download Data

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Biological Activities  
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