Natural Product: NPC135121

Natural Product ID:  NPC135121
Common Name:   Lagunamide A
IUPAC Name:   (3S,6S,12R,15S,18R,21E,24S,25S,26S)-12-benzyl-18,26-bis[(2S)-butan-2-yl]-6-[(2R)-butan-2-yl]-24-hydroxy-3,4,10,13,15,21,25-heptamethyl-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
Synonyms:   Lagunamide A
Molecular Formula:   C45H71N5O10
Standard InCHIKey:  VOJKUGWTQYFABB-ZJXVFMLESA-N
Standard InCHI:  InChI=1S/C45H71N5O10/c1-14-26(4)37-43(56)49(12)32(10)45(58)59-38(27(5)15-2)30(8)35(51)23-22-29(7)44(57)60-39(28(6)16-3)40(53)46-31(9)41(54)50(13)34(24-33-20-18-17-19-21-33)42(55)48(11)25-36(52)47-37/h17-22,26-28,30-32,34-35,37-39,51H,14-16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b29-22+/t26-,27+,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1
Canonical SMILES:  CC[C@@H]([C@@H]1OC(=O)[C@H](C)N(C)C(=O)[C@@H](N=C(O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C(=O)[C@@H](N=C([C@H](OC(=O)/C(=C/C[C@@H]([C@@H]1C)O)/C)[C@H](CC)C)O)C)C)[C@@H](CC)C)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
NPO26389 Lyngbya majuscula Species Oscillatoriaceae Bacteria PMID[20936843]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 190 nM 20936843
NPT168 Cell Line P388 Mus musculus IC50 = 6.4 nM 20936843
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Activity = 62 % 20936843

  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 NPC135121 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
0.9852 High Similarity NPC201244
0.9852 High Similarity NPC477217
0.8857 High Similarity NPC268841
0.8857 High Similarity NPC307357
0.8857 High Similarity NPC46098
0.8714 High Similarity NPC68865
0.8714 High Similarity NPC127741
0.8503 High Similarity NPC2501
0.8472 Intermediate Similarity NPC197682
0.8414 Intermediate Similarity NPC52748
0.8414 Intermediate Similarity NPC476978
0.8403 Intermediate Similarity NPC168113
0.8356 Intermediate Similarity NPC5620
0.8355 Intermediate Similarity NPC197743
0.8355 Intermediate Similarity NPC297145
0.8345 Intermediate Similarity NPC161069
0.8345 Intermediate Similarity NPC139326
0.8345 Intermediate Similarity NPC176226
0.8333 Intermediate Similarity NPC239762
0.8333 Intermediate Similarity NPC122590
0.8333 Intermediate Similarity NPC163392
0.8311 Intermediate Similarity NPC471821
0.8311 Intermediate Similarity NPC471820
0.8299 Intermediate Similarity NPC262077
0.8298 Intermediate Similarity NPC246079
0.8276 Intermediate Similarity NPC263493
0.8276 Intermediate Similarity NPC269398
0.8267 Intermediate Similarity NPC162104
0.8258 Intermediate Similarity NPC471051
0.8258 Intermediate Similarity NPC471052
0.8258 Intermediate Similarity NPC471053
0.8243 Intermediate Similarity NPC145113
0.8243 Intermediate Similarity NPC225648
0.8243 Intermediate Similarity NPC329761
0.8228 Intermediate Similarity NPC196091
0.8207 Intermediate Similarity NPC476259
0.8138 Intermediate Similarity NPC178662
0.8138 Intermediate Similarity NPC470884
0.8138 Intermediate Similarity NPC476133
0.8138 Intermediate Similarity NPC98424
0.8138 Intermediate Similarity NPC92784
0.8133 Intermediate Similarity NPC129666
0.8121 Intermediate Similarity NPC138775
0.8075 Intermediate Similarity NPC26108
0.8043 Intermediate Similarity NPC160493
0.8015 Intermediate Similarity NPC237420
0.8015 Intermediate Similarity NPC310467
0.8014 Intermediate Similarity NPC319766
0.7987 Intermediate Similarity NPC209509
0.7974 Intermediate Similarity NPC473341
0.7958 Intermediate Similarity NPC165726
0.7958 Intermediate Similarity NPC213969
0.7945 Intermediate Similarity NPC471265
0.7945 Intermediate Similarity NPC471264
0.7941 Intermediate Similarity NPC169328
0.7933 Intermediate Similarity NPC314358
0.7905 Intermediate Similarity NPC469427
0.7905 Intermediate Similarity NPC469426
0.7899 Intermediate Similarity NPC190663
0.7898 Intermediate Similarity NPC471527
0.7868 Intermediate Similarity NPC239357
0.7867 Intermediate Similarity NPC316008
0.7867 Intermediate Similarity NPC313867
0.7853 Intermediate Similarity NPC477462
0.7843 Intermediate Similarity NPC7817
0.7843 Intermediate Similarity NPC475168
0.7834 Intermediate Similarity NPC1390
0.7834 Intermediate Similarity NPC62104
0.7829 Intermediate Similarity NPC240848
0.7829 Intermediate Similarity NPC105717
0.7826 Intermediate Similarity NPC186617
0.7801 Intermediate Similarity NPC476241
0.7801 Intermediate Similarity NPC476260
0.78 Intermediate Similarity NPC314388
0.78 Intermediate Similarity NPC315283
0.7778 Intermediate Similarity NPC471568
0.7778 Intermediate Similarity NPC473693
0.7778 Intermediate Similarity NPC472536
0.7778 Intermediate Similarity NPC103391
0.775 Intermediate Similarity NPC472923
0.7748 Intermediate Similarity NPC315266
0.7746 Intermediate Similarity NPC476125
0.7746 Intermediate Similarity NPC476179
0.7746 Intermediate Similarity NPC101719
0.7744 Intermediate Similarity NPC473354
0.773 Intermediate Similarity NPC6975
0.773 Intermediate Similarity NPC46427
0.7724 Intermediate Similarity NPC130309
0.7704 Intermediate Similarity NPC273814
0.7703 Intermediate Similarity NPC43755
0.7692 Intermediate Similarity NPC39431
0.7692 Intermediate Similarity NPC470902
0.7683 Intermediate Similarity NPC248670
0.7683 Intermediate Similarity NPC273755
0.7676 Intermediate Similarity NPC222466
0.7662 Intermediate Similarity NPC283783
0.766 Intermediate Similarity NPC252878
0.7654 Intermediate Similarity NPC473502
0.7643 Intermediate Similarity NPC478015
0.7643 Intermediate Similarity NPC476183
0.7643 Intermediate Similarity NPC478016
0.7643 Intermediate Similarity NPC478014
0.7643 Intermediate Similarity NPC200964
0.764 Intermediate Similarity NPC5719
0.764 Intermediate Similarity NPC22883
0.764 Intermediate Similarity NPC210377
0.764 Intermediate Similarity NPC63931
0.764 Intermediate Similarity NPC217804
0.7633 Intermediate Similarity NPC471048
0.7633 Intermediate Similarity NPC471050
0.7633 Intermediate Similarity NPC471049
0.7628 Intermediate Similarity NPC286551
0.7626 Intermediate Similarity NPC470546
0.7605 Intermediate Similarity NPC475421
0.759 Intermediate Similarity NPC50016
0.7589 Intermediate Similarity NPC476281
0.7589 Intermediate Similarity NPC476184
0.7589 Intermediate Similarity NPC202521
0.7582 Intermediate Similarity NPC81026
0.7576 Intermediate Similarity NPC137627
0.7576 Intermediate Similarity NPC306804
0.7554 Intermediate Similarity NPC470545
0.7552 Intermediate Similarity NPC22746
0.7546 Intermediate Similarity NPC107938
0.7546 Intermediate Similarity NPC294516
0.7546 Intermediate Similarity NPC63040
0.7533 Intermediate Similarity NPC132636
0.753 Intermediate Similarity NPC159767
0.753 Intermediate Similarity NPC155506
0.753 Intermediate Similarity NPC471165
0.753 Intermediate Similarity NPC476227
0.753 Intermediate Similarity NPC279871
0.7529 Intermediate Similarity NPC294951
0.7518 Intermediate Similarity NPC477061
0.7518 Intermediate Similarity NPC476990
0.7518 Intermediate Similarity NPC45777
0.7518 Intermediate Similarity NPC80150
0.7517 Intermediate Similarity NPC239990
0.7517 Intermediate Similarity NPC71933
0.7517 Intermediate Similarity NPC89923
0.7517 Intermediate Similarity NPC105114
0.7517 Intermediate Similarity NPC152850
0.7516 Intermediate Similarity NPC266741
0.7515 Intermediate Similarity NPC476321
0.75 Intermediate Similarity NPC47667
0.75 Intermediate Similarity NPC287401
0.75 Intermediate Similarity NPC45037
0.7485 Intermediate Similarity NPC315542
0.7485 Intermediate Similarity NPC15068
0.7483 Intermediate Similarity NPC476278
0.7482 Intermediate Similarity NPC470544
0.7471 Intermediate Similarity NPC470903
0.7471 Intermediate Similarity NPC470112
0.7471 Intermediate Similarity NPC471526
0.7471 Intermediate Similarity NPC167763
0.7467 Intermediate Similarity NPC6570
0.7466 Intermediate Similarity NPC473322
0.7455 Intermediate Similarity NPC40234
0.7455 Intermediate Similarity NPC475204
0.7455 Intermediate Similarity NPC46009
0.7455 Intermediate Similarity NPC475123
0.745 Intermediate Similarity NPC248283
0.7448 Intermediate Similarity NPC136453
0.741 Intermediate Similarity NPC230611
0.741 Intermediate Similarity NPC89831
0.7396 Intermediate Similarity NPC194671
0.7396 Intermediate Similarity NPC269750
0.7384 Intermediate Similarity NPC299806
0.7371 Intermediate Similarity NPC473407
0.7371 Intermediate Similarity NPC473378
0.7365 Intermediate Similarity NPC255447
0.7365 Intermediate Similarity NPC157311
0.7347 Intermediate Similarity NPC469666
0.7346 Intermediate Similarity NPC469901
0.7333 Intermediate Similarity NPC209463
0.7321 Intermediate Similarity NPC473402
0.7321 Intermediate Similarity NPC318930
0.7321 Intermediate Similarity NPC317362
0.7318 Intermediate Similarity NPC477552
0.7318 Intermediate Similarity NPC477550
0.7315 Intermediate Similarity NPC8761
0.7315 Intermediate Similarity NPC44805
0.7314 Intermediate Similarity NPC473305
0.7314 Intermediate Similarity NPC163961
0.7296 Intermediate Similarity NPC262166
0.7284 Intermediate Similarity NPC287757
0.7284 Intermediate Similarity NPC319320
0.7278 Intermediate Similarity NPC324081
0.7273 Intermediate Similarity NPC91953
0.7266 Intermediate Similarity NPC276949
0.7266 Intermediate Similarity NPC35850
0.7254 Intermediate Similarity NPC314992
0.7241 Intermediate Similarity NPC474082
0.7241 Intermediate Similarity NPC35996
0.7241 Intermediate Similarity NPC175726
0.7238 Intermediate Similarity NPC477551
0.723 Intermediate Similarity NPC111428
0.7222 Intermediate Similarity NPC323662
0.7222 Intermediate Similarity NPC71684
0.7214 Intermediate Similarity NPC33742

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC135121 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
0.7945 Intermediate Similarity NPD8172 Phase 2
0.7945 Intermediate Similarity NPD8173 Phase 2
0.7763 Intermediate Similarity NPD8323 Discontinued
0.773 Intermediate Similarity NPD2584 Suspended
0.7724 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD8417 Discontinued
0.7586 Intermediate Similarity NPD3626 Phase 3
0.7483 Intermediate Similarity NPD4738 Phase 2
0.7451 Intermediate Similarity NPD6681 Discovery
0.745 Intermediate Similarity NPD8416 Discontinued
0.7417 Intermediate Similarity NPD6852 Discontinued
0.7403 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.74 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.7254 Intermediate Similarity NPD2218 Phase 2
0.7254 Intermediate Similarity NPD2217 Approved
0.7233 Intermediate Similarity NPD7613 Discontinued
0.723 Intermediate Similarity NPD4175 Approved
0.723 Intermediate Similarity NPD4177 Approved
0.7222 Intermediate Similarity NPD7749 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD6088 Approved
0.7171 Intermediate Similarity NPD8643 Discontinued
0.7162 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7720 Phase 2
0.7143 Intermediate Similarity NPD7608 Discontinued
0.7124 Intermediate Similarity NPD5725 Approved
0.7124 Intermediate Similarity NPD6073 Approved
0.7117 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6119 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5291 Approved
0.7113 Intermediate Similarity NPD5292 Approved
0.7107 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD6623 Phase 3
0.7095 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7131 Phase 3
0.7078 Intermediate Similarity NPD6901 Phase 3
0.7067 Intermediate Similarity NPD4125 Approved
0.7063 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD2891 Approved
0.7055 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4152 Approved
0.7051 Intermediate Similarity NPD8076 Discontinued
0.7047 Intermediate Similarity NPD3604 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD5747 Discontinued
0.703 Intermediate Similarity NPD4557 Approved
0.7025 Intermediate Similarity NPD1968 Approved
0.7025 Intermediate Similarity NPD1967 Approved
0.702 Intermediate Similarity NPD6039 Approved
0.7007 Intermediate Similarity NPD5108 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4153 Approved
0.6982 Remote Similarity NPD7484 Phase 3
0.6982 Remote Similarity NPD7485 Phase 3
0.6981 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6968 Remote Similarity NPD6294 Approved
0.6968 Remote Similarity NPD6295 Approved
0.6959 Remote Similarity NPD4677 Discontinued
0.6954 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4806 Approved
0.6939 Remote Similarity NPD4807 Approved
0.6928 Remote Similarity NPD7634 Clinical (unspecified phase)
0.6913 Remote Similarity NPD3125 Approved
0.6903 Remote Similarity NPD4782 Clinical (unspecified phase)
0.6903 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6899 Remote Similarity NPD2436 Approved
0.6899 Remote Similarity NPD2437 Approved
0.6892 Remote Similarity NPD3073 Approved
0.6892 Remote Similarity NPD3072 Approved
0.6892 Remote Similarity NPD3071 Approved
0.6887 Remote Similarity NPD3663 Approved
0.6887 Remote Similarity NPD3664 Approved
0.6887 Remote Similarity NPD3661 Approved
0.6887 Remote Similarity NPD3662 Phase 3
0.6886 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6883 Remote Similarity NPD5296 Approved
0.6883 Remote Similarity NPD8265 Approved
0.6879 Remote Similarity NPD4172 Approved
0.6879 Remote Similarity NPD4173 Approved
0.6875 Remote Similarity NPD3123 Discovery
0.6875 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6867 Remote Similarity NPD2625 Approved
0.6867 Remote Similarity NPD2628 Approved
0.6867 Remote Similarity NPD2626 Approved
0.6867 Remote Similarity NPD2159 Approved
0.6867 Remote Similarity NPD2627 Approved
0.6867 Remote Similarity NPD2160 Approved
0.6863 Remote Similarity NPD4619 Approved
0.6863 Remote Similarity NPD4621 Approved
0.6849 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4617 Approved
0.6842 Remote Similarity NPD2613 Approved
0.6842 Remote Similarity NPD4620 Approved
0.6842 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5201 Approved
0.6842 Remote Similarity NPD5203 Approved
0.6829 Remote Similarity NPD8315 Phase 1
0.6826 Remote Similarity NPD7599 Phase 2
0.6824 Remote Similarity NPD4762 Approved
0.6824 Remote Similarity NPD4216 Approved
0.6824 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6824 Remote Similarity NPD2611 Approved
0.6824 Remote Similarity NPD2609 Approved
0.6824 Remote Similarity NPD4217 Approved
0.6824 Remote Similarity NPD2612 Approved
0.6824 Remote Similarity NPD2610 Approved
0.6824 Remote Similarity NPD4215 Approved
0.6824 Remote Similarity NPD2608 Approved
0.6824 Remote Similarity NPD5338 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4761 Approved
0.6824 Remote Similarity NPD3131 Approved
0.6824 Remote Similarity NPD4218 Approved
0.6824 Remote Similarity NPD3132 Approved
0.6818 Remote Similarity NPD3616 Approved
0.6818 Remote Similarity NPD3561 Clinical (unspecified phase)
0.6818 Remote Similarity NPD3089 Approved
0.6818 Remote Similarity NPD2571 Approved
0.6818 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6818 Remote Similarity NPD4746 Phase 3
0.6818 Remote Similarity NPD3088 Approved
0.6818 Remote Similarity NPD3087 Approved
0.6818 Remote Similarity NPD2574 Discontinued
0.6818 Remote Similarity NPD2570 Approved
0.6818 Remote Similarity NPD2573 Approved
0.6818 Remote Similarity NPD3615 Approved
0.6818 Remote Similarity NPD2566 Approved
0.6818 Remote Similarity NPD4745 Approved
0.6818 Remote Similarity NPD3614 Approved
0.6818 Remote Similarity NPD3090 Approved
0.6816 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6815 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6813 Remote Similarity NPD2575 Approved
0.6809 Remote Similarity NPD3644 Approved
0.6809 Remote Similarity NPD3643 Approved
0.6809 Remote Similarity NPD3642 Approved
0.6806 Remote Similarity NPD1348 Approved
0.6803 Remote Similarity NPD5723 Approved
0.68 Remote Similarity NPD2198 Approved
0.68 Remote Similarity NPD2199 Approved
0.68 Remote Similarity NPD2634 Clinical (unspecified phase)
0.6795 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7600 Phase 2
0.6776 Remote Similarity NPD5204 Approved
0.6774 Remote Similarity NPD5120 Approved
0.6774 Remote Similarity NPD5121 Approved
0.6774 Remote Similarity NPD4791 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5119 Approved
0.6772 Remote Similarity NPD6897 Clinical (unspecified phase)
0.677 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6766 Remote Similarity NPD7011 Discontinued
0.6763 Remote Similarity NPD7130 Phase 3
0.6757 Remote Similarity NPD4135 Approved
0.6757 Remote Similarity NPD4106 Approved
0.6757 Remote Similarity NPD4136 Approved
0.6753 Remote Similarity NPD1330 Phase 2
0.6753 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6748 Remote Similarity NPD4185 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5981 Approved
0.6732 Remote Similarity NPD5263 Approved
0.6732 Remote Similarity NPD4676 Approved
0.6731 Remote Similarity NPD4685 Phase 3
0.6731 Remote Similarity NPD4684 Phase 3
0.6731 Remote Similarity NPD4686 Approved
0.673 Remote Similarity NPD2022 Approved
0.6727 Remote Similarity NPD4646 Approved
0.6727 Remote Similarity NPD4648 Approved
0.6727 Remote Similarity NPD4647 Approved
0.6722 Remote Similarity NPD7683 Discontinued
0.671 Remote Similarity NPD5745 Approved
0.6709 Remote Similarity NPD3480 Approved
0.6709 Remote Similarity NPD7728 Clinical (unspecified phase)
0.6708 Remote Similarity NPD5298 Clinical (unspecified phase)
0.6708 Remote Similarity NPD6676 Phase 2
0.6707 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6689 Remote Similarity NPD6792 Phase 3
0.6689 Remote Similarity NPD5367 Discontinued
0.6688 Remote Similarity NPD2047 Approved
0.6688 Remote Similarity NPD21 Approved
0.6688 Remote Similarity NPD2046 Approved
0.6688 Remote Similarity NPD2044 Approved
0.6688 Remote Similarity NPD3136 Phase 2
0.6688 Remote Similarity NPD2045 Approved
0.6688 Remote Similarity NPD2049 Clinical (unspecified phase)
0.6688 Remote Similarity NPD2043 Approved
0.6688 Remote Similarity NPD2048 Approved
0.6688 Remote Similarity NPD2051 Approved
0.6688 Remote Similarity NPD2050 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7892 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6687 Remote Similarity NPD2013 Approved
0.6687 Remote Similarity NPD2016 Approved
0.6687 Remote Similarity NPD2014 Approved
0.6685 Remote Similarity NPD5852 Approved
0.6685 Remote Similarity NPD5851 Approved
0.6667 Remote Similarity NPD7512 Approved
0.6667 Remote Similarity NPD3040 Approved
0.6667 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2652 Approved
0.6667 Remote Similarity NPD2650 Approved
0.6667 Remote Similarity NPD7965 Phase 2
0.6667 Remote Similarity NPD5323 Approved
0.6667 Remote Similarity NPD7997 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   50901239
ChEMBL   CHEMBL1641857
ZINC  

Physicochemical Properties

Molecular Weight:  841.52
ALogP:  -2.333
MLogP:  4.76
XLogP:  7.006
# Rotatable Bonds:  24
Polar Surface Area:  198.94
# H-Bond Aceptor:  15
# H-Bond Donor:  3
# Rings:  2
# Heavy Atoms:  60

Download Data

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Biological Activities  
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