Natural Product: NPC105717

Natural Product ID:  NPC105717
Common Name:   Precarriebowmide
IUPAC Name:   (2R,5R,8S,11S,14S,17S,20R,21S)-5,11-dibenzyl-4,13,17,21-tetramethyl-14-(2-methylpropyl)-8-(2-methylsulfanylethyl)-2-propan-2-yl-20-propyl-1-oxa-4,7,10,13,16,19-hexazacyclodocosane-3,6,9,12,15,18,22-heptone
Synonyms:  
Molecular Formula:   C46H68N6O8S
Standard InCHIKey:  KCYRWQKOIZHYNX-ARSHIWEASA-N
Standard InCHI:  InChI=1S/C46H68N6O8S/c1-11-18-34-30(6)46(59)60-39(29(4)5)45(58)52(9)38(27-33-21-16-13-17-22-33)43(56)49-35(23-24-61-10)41(54)50-36(26-32-19-14-12-15-20-32)44(57)51(8)37(25-28(2)3)42(55)47-31(7)40(53)48-34/h12-17,19-22,28-31,34-39H,11,18,23-27H2,1-10H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)/t30-,31-,34+,35-,36-,37-,38+,39+/m0/s1
Canonical SMILES:  CSCC[C@@H]1N=C(O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](OC(=O)[C@@H](C)[C@@H](CCC)N=C([C@@H](N=C([C@@H](N(C(=O)[C@@H](N=C1O)Cc1ccccc1)C)CC(C)C)O)C)O)C(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
NPO30482 Moorea producens Species Oscillatoriaceae Bacteria PMID[24044577]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 10000 nM 15921415

  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 NPC105717 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
0.9714 High Similarity NPC286551
0.8944 High Similarity NPC209509
0.8803 High Similarity NPC139326
0.8732 High Similarity NPC269398
0.8732 High Similarity NPC263493
0.8718 High Similarity NPC318930
0.8718 High Similarity NPC317725
0.8718 High Similarity NPC317362
0.8718 High Similarity NPC326407
0.8652 High Similarity NPC471265
0.8652 High Similarity NPC471264
0.8592 High Similarity NPC476133
0.8592 High Similarity NPC178662
0.8592 High Similarity NPC98424
0.8592 High Similarity NPC92784
0.8592 High Similarity NPC470884
0.8425 Intermediate Similarity NPC5620
0.8425 Intermediate Similarity NPC322878
0.8414 Intermediate Similarity NPC161069
0.8403 Intermediate Similarity NPC307357
0.8403 Intermediate Similarity NPC46098
0.8403 Intermediate Similarity NPC268841
0.8392 Intermediate Similarity NPC68865
0.8392 Intermediate Similarity NPC127741
0.8214 Intermediate Similarity NPC152850
0.8214 Intermediate Similarity NPC239990
0.8214 Intermediate Similarity NPC105114
0.8214 Intermediate Similarity NPC89923
0.8214 Intermediate Similarity NPC71933
0.82 Intermediate Similarity NPC129666
0.8188 Intermediate Similarity NPC225648
0.8188 Intermediate Similarity NPC329761
0.8188 Intermediate Similarity NPC138775
0.8163 Intermediate Similarity NPC197682
0.8151 Intermediate Similarity NPC163392
0.8151 Intermediate Similarity NPC239762
0.8143 Intermediate Similarity NPC136453
0.8133 Intermediate Similarity NPC240848
0.8108 Intermediate Similarity NPC476978
0.8099 Intermediate Similarity NPC300315
0.8095 Intermediate Similarity NPC168113
0.8092 Intermediate Similarity NPC162104
0.8088 Intermediate Similarity NPC470546
0.8079 Intermediate Similarity NPC283783
0.8067 Intermediate Similarity NPC145113
0.8042 Intermediate Similarity NPC157311
0.8041 Intermediate Similarity NPC176226
0.8015 Intermediate Similarity NPC470545
0.8013 Intermediate Similarity NPC471820
0.8013 Intermediate Similarity NPC471821
0.8 Intermediate Similarity NPC262077
0.7986 Intermediate Similarity NPC8761
0.7986 Intermediate Similarity NPC44805
0.7973 Intermediate Similarity NPC469426
0.7973 Intermediate Similarity NPC469427
0.7949 Intermediate Similarity NPC197743
0.7949 Intermediate Similarity NPC297145
0.7941 Intermediate Similarity NPC470544
0.7922 Intermediate Similarity NPC122590
0.7905 Intermediate Similarity NPC476259
0.7883 Intermediate Similarity NPC169328
0.7877 Intermediate Similarity NPC248283
0.7838 Intermediate Similarity NPC132636
0.7832 Intermediate Similarity NPC319766
0.7829 Intermediate Similarity NPC135121
0.7826 Intermediate Similarity NPC310467
0.7817 Intermediate Similarity NPC47667
0.7815 Intermediate Similarity NPC477217
0.7815 Intermediate Similarity NPC201244
0.7793 Intermediate Similarity NPC255447
0.7778 Intermediate Similarity NPC473322
0.775 Intermediate Similarity NPC471051
0.775 Intermediate Similarity NPC471053
0.775 Intermediate Similarity NPC471052
0.7748 Intermediate Similarity NPC52748
0.774 Intermediate Similarity NPC246079
0.7727 Intermediate Similarity NPC2501
0.7714 Intermediate Similarity NPC477061
0.7714 Intermediate Similarity NPC45777
0.7697 Intermediate Similarity NPC313867
0.7697 Intermediate Similarity NPC316008
0.7655 Intermediate Similarity NPC111428
0.7647 Intermediate Similarity NPC314358
0.7632 Intermediate Similarity NPC314388
0.7632 Intermediate Similarity NPC315283
0.7625 Intermediate Similarity NPC471527
0.7607 Intermediate Similarity NPC473502
0.7589 Intermediate Similarity NPC200964
0.7586 Intermediate Similarity NPC165538
0.758 Intermediate Similarity NPC473341
0.7571 Intermediate Similarity NPC237420
0.7569 Intermediate Similarity NPC101719
0.7568 Intermediate Similarity NPC287401
0.7552 Intermediate Similarity NPC6975
0.7552 Intermediate Similarity NPC46427
0.7535 Intermediate Similarity NPC71684
0.7533 Intermediate Similarity NPC43755
0.75 Intermediate Similarity NPC222466
0.7483 Intermediate Similarity NPC200589
0.7483 Intermediate Similarity NPC89489
0.7483 Intermediate Similarity NPC252878
0.7471 Intermediate Similarity NPC329961
0.7471 Intermediate Similarity NPC122427
0.7468 Intermediate Similarity NPC471680
0.7452 Intermediate Similarity NPC475168
0.7452 Intermediate Similarity NPC7817
0.7451 Intermediate Similarity NPC468984
0.7432 Intermediate Similarity NPC130309
0.7413 Intermediate Similarity NPC202521
0.741 Intermediate Similarity NPC40234
0.741 Intermediate Similarity NPC33742
0.741 Intermediate Similarity NPC196091
0.7381 Intermediate Similarity NPC476227
0.7381 Intermediate Similarity NPC477462
0.7355 Intermediate Similarity NPC315266
0.7346 Intermediate Similarity NPC1390
0.7346 Intermediate Similarity NPC62104
0.7343 Intermediate Similarity NPC190663
0.7343 Intermediate Similarity NPC478016
0.7343 Intermediate Similarity NPC478014
0.7343 Intermediate Similarity NPC476990
0.7343 Intermediate Similarity NPC478015
0.7338 Intermediate Similarity NPC276949
0.7338 Intermediate Similarity NPC35850
0.733 Intermediate Similarity NPC477526
0.7321 Intermediate Similarity NPC137627
0.7321 Intermediate Similarity NPC306804
0.7312 Intermediate Similarity NPC470902
0.731 Intermediate Similarity NPC35996
0.731 Intermediate Similarity NPC175726
0.731 Intermediate Similarity NPC474082
0.7308 Intermediate Similarity NPC81026
0.7305 Intermediate Similarity NPC239357
0.7289 Intermediate Similarity NPC294516
0.7289 Intermediate Similarity NPC107938
0.7278 Intermediate Similarity NPC159767
0.7278 Intermediate Similarity NPC155506
0.7278 Intermediate Similarity NPC279871
0.7278 Intermediate Similarity NPC26108
0.7273 Intermediate Similarity NPC22883
0.7273 Intermediate Similarity NPC5719
0.7273 Intermediate Similarity NPC210377
0.7273 Intermediate Similarity NPC217804
0.7257 Intermediate Similarity NPC4910
0.7244 Intermediate Similarity NPC266741
0.7241 Intermediate Similarity NPC160493
0.7229 Intermediate Similarity NPC15068
0.7222 Intermediate Similarity NPC302169
0.7219 Intermediate Similarity NPC248670
0.7209 Intermediate Similarity NPC153554
0.7186 Intermediate Similarity NPC63040
0.7176 Intermediate Similarity NPC471165
0.717 Intermediate Similarity NPC13470
0.7169 Intermediate Similarity NPC63931
0.7162 Intermediate Similarity NPC477937
0.716 Intermediate Similarity NPC230611
0.716 Intermediate Similarity NPC469903
0.716 Intermediate Similarity NPC89831
0.7159 Intermediate Similarity NPC329731
0.7152 Intermediate Similarity NPC16188
0.7151 Intermediate Similarity NPC194671
0.7151 Intermediate Similarity NPC269750
0.7151 Intermediate Similarity NPC475421
0.7143 Intermediate Similarity NPC22746
0.7143 Intermediate Similarity NPC251036
0.7143 Intermediate Similarity NPC474584
0.7135 Intermediate Similarity NPC50016
0.7118 Intermediate Similarity NPC273755
0.7113 Intermediate Similarity NPC197470
0.7111 Intermediate Similarity NPC184933
0.7111 Intermediate Similarity NPC59827
0.7103 Intermediate Similarity NPC80150
0.7101 Intermediate Similarity NPC475204
0.7101 Intermediate Similarity NPC475123
0.7099 Intermediate Similarity NPC39431
0.7095 Intermediate Similarity NPC4974
0.7091 Intermediate Similarity NPC469243
0.7086 Intermediate Similarity NPC471050
0.7086 Intermediate Similarity NPC471048
0.7086 Intermediate Similarity NPC471049
0.7081 Intermediate Similarity NPC233702
0.7076 Intermediate Similarity NPC473402
0.7076 Intermediate Similarity NPC158277
0.7076 Intermediate Similarity NPC473354
0.7074 Intermediate Similarity NPC475350
0.7074 Intermediate Similarity NPC14877
0.7074 Intermediate Similarity NPC145178
0.7067 Intermediate Similarity NPC469666
0.7066 Intermediate Similarity NPC472923
0.7063 Intermediate Similarity NPC14672
0.7063 Intermediate Similarity NPC285926
0.7063 Intermediate Similarity NPC315276
0.7041 Intermediate Similarity NPC186617
0.7037 Intermediate Similarity NPC202198
0.7029 Intermediate Similarity NPC470903
0.7029 Intermediate Similarity NPC470112
0.7029 Intermediate Similarity NPC161143
0.7029 Intermediate Similarity NPC167763
0.7021 Intermediate Similarity NPC273814
0.7019 Intermediate Similarity NPC473491

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC105717 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
0.8099 Intermediate Similarity NPD4125 Approved
0.8065 Intermediate Similarity NPD7749 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD8323 Discontinued
0.7891 Intermediate Similarity NPD8172 Phase 2
0.7891 Intermediate Similarity NPD8173 Phase 2
0.7832 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD6552 Clinical (unspecified phase)
0.7823 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD3561 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7828 Discontinued
0.7727 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD8643 Discontinued
0.7692 Intermediate Similarity NPD5367 Discontinued
0.7676 Intermediate Similarity NPD2584 Suspended
0.7639 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD8416 Discontinued
0.7635 Intermediate Similarity NPD8265 Approved
0.76 Intermediate Similarity NPD6852 Discontinued
0.7566 Intermediate Similarity NPD2022 Approved
0.7551 Intermediate Similarity NPD2050 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD2046 Approved
0.7551 Intermediate Similarity NPD2043 Approved
0.7551 Intermediate Similarity NPD2049 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD21 Approved
0.7551 Intermediate Similarity NPD2044 Approved
0.7551 Intermediate Similarity NPD2047 Approved
0.7551 Intermediate Similarity NPD2051 Approved
0.7551 Intermediate Similarity NPD2045 Approved
0.7551 Intermediate Similarity NPD2048 Approved
0.755 Intermediate Similarity NPD6865 Phase 2
0.755 Intermediate Similarity NPD3480 Approved
0.755 Intermediate Similarity NPD6864 Phase 2
0.7547 Intermediate Similarity NPD8417 Discontinued
0.7532 Intermediate Similarity NPD4646 Approved
0.7532 Intermediate Similarity NPD4648 Approved
0.7532 Intermediate Similarity NPD4647 Approved
0.7532 Intermediate Similarity NPD5298 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD5323 Approved
0.7516 Intermediate Similarity NPD2436 Approved
0.7516 Intermediate Similarity NPD4557 Approved
0.7516 Intermediate Similarity NPD2437 Approved
0.7516 Intermediate Similarity NPD6119 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD5265 Approved
0.7468 Intermediate Similarity NPD5264 Approved
0.7451 Intermediate Similarity NPD2087 Approved
0.7451 Intermediate Similarity NPD2088 Approved
0.7405 Intermediate Similarity NPD5230 Approved
0.7405 Intermediate Similarity NPD7613 Discontinued
0.7405 Intermediate Similarity NPD5229 Approved
0.74 Intermediate Similarity NPD6623 Phase 3
0.7394 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD5613 Approved
0.7389 Intermediate Similarity NPD5614 Approved
0.7383 Intermediate Similarity NPD5299 Approved
0.7338 Intermediate Similarity NPD8076 Discontinued
0.7329 Intermediate Similarity NPD2891 Approved
0.7303 Intermediate Similarity NPD6073 Approved
0.7296 Intermediate Similarity NPD5638 Approved
0.7278 Intermediate Similarity NPD3987 Approved
0.7278 Intermediate Similarity NPD6088 Approved
0.7278 Intermediate Similarity NPD3988 Approved
0.7273 Intermediate Similarity NPD4209 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6295 Approved
0.7255 Intermediate Similarity NPD6901 Phase 3
0.7255 Intermediate Similarity NPD6294 Approved
0.7244 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD4432 Discontinued
0.723 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7964 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7965 Phase 2
0.7181 Intermediate Similarity NPD4177 Approved
0.7181 Intermediate Similarity NPD4175 Approved
0.7171 Intermediate Similarity NPD4153 Approved
0.717 Intermediate Similarity NPD2014 Approved
0.717 Intermediate Similarity NPD2016 Approved
0.717 Intermediate Similarity NPD2013 Approved
0.7143 Intermediate Similarity NPD4677 Discontinued
0.7143 Intermediate Similarity NPD4126 Approved
0.7118 Intermediate Similarity NPD8124 Phase 3
0.7118 Intermediate Similarity NPD8126 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD3604 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD1348 Approved
0.7099 Intermediate Similarity NPD8315 Phase 1
0.7097 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4508 Discontinued
0.7081 Intermediate Similarity NPD7303 Discontinued
0.7078 Intermediate Similarity NPD5725 Approved
0.707 Intermediate Similarity NPD6681 Discovery
0.7067 Intermediate Similarity NPD3626 Phase 3
0.7041 Intermediate Similarity NPD6303 Approved
0.7041 Intermediate Similarity NPD6304 Approved
0.7034 Intermediate Similarity NPD5981 Approved
0.7022 Intermediate Similarity NPD5852 Approved
0.7022 Intermediate Similarity NPD5851 Approved
0.7007 Intermediate Similarity NPD4480 Approved
0.7006 Intermediate Similarity NPD7720 Phase 2
0.7 Intermediate Similarity NPD3643 Approved
0.7 Intermediate Similarity NPD3642 Approved
0.7 Intermediate Similarity NPD3644 Approved
0.6988 Remote Similarity NPD7599 Phase 2
0.6988 Remote Similarity NPD4566 Approved
0.6988 Remote Similarity NPD4567 Approved
0.6987 Remote Similarity NPD3648 Clinical (unspecified phase)
0.6975 Remote Similarity NPD6390 Discontinued
0.6968 Remote Similarity NPD5004 Approved
0.6966 Remote Similarity NPD2217 Approved
0.6966 Remote Similarity NPD2218 Phase 2
0.6962 Remote Similarity NPD5341 Clinical (unspecified phase)
0.6954 Remote Similarity NPD5484 Approved
0.6954 Remote Similarity NPD5485 Approved
0.6954 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6948 Remote Similarity NPD5296 Approved
0.6946 Remote Similarity NPD7600 Phase 2
0.6933 Remote Similarity NPD7131 Phase 3
0.6928 Remote Similarity NPD5581 Approved
0.6928 Remote Similarity NPD7908 Discontinued
0.6908 Remote Similarity NPD5263 Approved
0.6899 Remote Similarity NPD4152 Approved
0.6892 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7634 Clinical (unspecified phase)
0.6883 Remote Similarity NPD5747 Discontinued
0.6879 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6879 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6879 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6867 Remote Similarity NPD6792 Phase 3
0.6863 Remote Similarity NPD4738 Phase 2
0.686 Remote Similarity NPD5633 Discontinued
0.6852 Remote Similarity NPD1581 Approved
0.6852 Remote Similarity NPD1582 Approved
0.6849 Remote Similarity NPD6093 Discontinued
0.6846 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6846 Remote Similarity NPD3073 Approved
0.6846 Remote Similarity NPD3071 Approved
0.6846 Remote Similarity NPD3072 Approved
0.6845 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6845 Remote Similarity NPD2097 Approved
0.6842 Remote Similarity NPD3040 Approved
0.6832 Remote Similarity NPD7740 Clinical (unspecified phase)
0.6831 Remote Similarity NPD8339 Clinical (unspecified phase)
0.6828 Remote Similarity NPD4576 Approved
0.6828 Remote Similarity NPD4574 Approved
0.6805 Remote Similarity NPD8351 Phase 2
0.6802 Remote Similarity NPD4652 Approved
0.6797 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6781 Remote Similarity NPD6360 Discontinued
0.6779 Remote Similarity NPD4762 Approved
0.6779 Remote Similarity NPD4761 Approved
0.6766 Remote Similarity NPD7105 Phase 1
0.6766 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6765 Remote Similarity NPD2098 Approved
0.6752 Remote Similarity NPD4782 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7484 Phase 3
0.6744 Remote Similarity NPD7485 Phase 3
0.6732 Remote Similarity NPD5204 Approved
0.6731 Remote Similarity NPD4791 Clinical (unspecified phase)
0.673 Remote Similarity NPD6897 Clinical (unspecified phase)
0.673 Remote Similarity NPD7511 Approved
0.673 Remote Similarity NPD7512 Approved
0.6728 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6714 Remote Similarity NPD7130 Phase 3
0.6711 Remote Similarity NPD6302 Clinical (unspecified phase)
0.671 Remote Similarity NPD4621 Approved
0.671 Remote Similarity NPD4619 Approved
0.6707 Remote Similarity NPD5941 Approved
0.6707 Remote Similarity NPD5942 Approved
0.6707 Remote Similarity NPD7267 Clinical (unspecified phase)
0.6705 Remote Similarity NPD7608 Discontinued
0.6688 Remote Similarity NPD2613 Approved
0.6688 Remote Similarity NPD5201 Approved
0.6688 Remote Similarity NPD4617 Approved
0.6688 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6688 Remote Similarity NPD4620 Approved
0.6688 Remote Similarity NPD4676 Approved
0.6688 Remote Similarity NPD5203 Approved
0.6687 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6687 Remote Similarity NPD3509 Approved
0.6687 Remote Similarity NPD3510 Approved
0.6685 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2612 Approved
0.6667 Remote Similarity NPD2570 Approved
0.6667 Remote Similarity NPD2609 Approved
0.6667 Remote Similarity NPD2611 Approved
0.6667 Remote Similarity NPD4807 Approved
0.6667 Remote Similarity NPD4745 Approved
0.6667 Remote Similarity NPD2571 Approved
0.6667 Remote Similarity NPD3088 Approved
0.6667 Remote Similarity NPD1967 Approved
0.6667 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1968 Approved
0.6667 Remote Similarity NPD2573 Approved
0.6667 Remote Similarity NPD2610 Approved
0.6667 Remote Similarity NPD3132 Approved
0.6667 Remote Similarity NPD3615 Approved
0.6667 Remote Similarity NPD2574 Discontinued
0.6667 Remote Similarity NPD2608 Approved
0.6667 Remote Similarity NPD4217 Approved
0.6667 Remote Similarity NPD4806 Approved
0.6667 Remote Similarity NPD3616 Approved
0.6667 Remote Similarity NPD3089 Approved

Structure

External Identifiers

PubChem CID   73356797
ChEMBL   CHEMBL2419883
ZINC  

Physicochemical Properties

Molecular Weight:  864.48
ALogP:  -0.8235
MLogP:  4.87
XLogP:  10.628
# Rotatable Bonds:  26
Polar Surface Area:  222.58
# H-Bond Aceptor:  14
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  61

Download Data

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Structure MOL file  
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Biological Activities  
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