Natural Product: NPC100478

Natural Product ID:  NPC100478
Common Name:   Cannabisin G
IUPAC Name:   (2E,3E)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]butanediamide
Synonyms:   Cannabisin G
Molecular Formula:   C36H36N2O8
Standard InCHIKey:  FGAVHWSCPSBSMG-CZYCKNNWSA-N
Standard InCHI:  InChI=1S/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19+,30-20+
Canonical SMILES:  COc1cc(ccc1O)/C=C(C(=C/c1ccc(c(c1)OC)O)C(=NCCc1ccc(cc1)O)O)/C(=NCCc1ccc(cc1)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
NPO18781 Hyoscyamus niger Species Solanaceae Eukaryota Seeds PMID[11858758]
NPO18781 Hyoscyamus niger Species Solanaceae Eukaryota TCM_Taiwan*
NPO18781 Hyoscyamus niger Species Solanaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT858 Cell Line LNCaP Homo sapiens IC50 = 76000 nM 11858758

  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 NPC100478 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 NPC222039
0.9214 High Similarity NPC5462
0.9041 High Similarity NPC107602
0.903 High Similarity NPC52029
0.903 High Similarity NPC35961
0.903 High Similarity NPC195749
0.8963 High Similarity NPC114102
0.8955 High Similarity NPC155838
0.8897 High Similarity NPC214869
0.8881 High Similarity NPC186898
0.8881 High Similarity NPC251571
0.8836 High Similarity NPC127402
0.8742 High Similarity NPC179250
0.8742 High Similarity NPC50380
0.8693 High Similarity NPC90984
0.863 High Similarity NPC470935
0.863 High Similarity NPC471032
0.8603 High Similarity NPC153990
0.8582 High Similarity NPC204848
0.8582 High Similarity NPC160607
0.8582 High Similarity NPC312770
0.8582 High Similarity NPC14600
0.8582 High Similarity NPC41473
0.8529 High Similarity NPC301713
0.8521 High Similarity NPC296898
0.8521 High Similarity NPC299583
0.8429 Intermediate Similarity NPC285078
0.8429 Intermediate Similarity NPC313737
0.8429 Intermediate Similarity NPC6854
0.8357 Intermediate Similarity NPC130595
0.8357 Intermediate Similarity NPC93882
0.8333 Intermediate Similarity NPC52475
0.8333 Intermediate Similarity NPC477838
0.8333 Intermediate Similarity NPC477837
0.8311 Intermediate Similarity NPC115144
0.8311 Intermediate Similarity NPC277857
0.8286 Intermediate Similarity NPC308885
0.8286 Intermediate Similarity NPC255550
0.8278 Intermediate Similarity NPC18614
0.8278 Intermediate Similarity NPC275027
0.8261 Intermediate Similarity NPC304630
0.8261 Intermediate Similarity NPC17837
0.8239 Intermediate Similarity NPC218530
0.8134 Intermediate Similarity NPC122009
0.8074 Intermediate Similarity NPC43275
0.8074 Intermediate Similarity NPC268572
0.8069 Intermediate Similarity NPC254610
0.806 Intermediate Similarity NPC283468
0.8027 Intermediate Similarity NPC110699
0.8027 Intermediate Similarity NPC106055
0.8013 Intermediate Similarity NPC153644
0.8 Intermediate Similarity NPC470626
0.8 Intermediate Similarity NPC134431
0.8 Intermediate Similarity NPC156854
0.7973 Intermediate Similarity NPC470372
0.7961 Intermediate Similarity NPC182119
0.7958 Intermediate Similarity NPC210655
0.7956 Intermediate Similarity NPC284078
0.7956 Intermediate Similarity NPC83279
0.7926 Intermediate Similarity NPC293619
0.7914 Intermediate Similarity NPC13020
0.7914 Intermediate Similarity NPC140359
0.7905 Intermediate Similarity NPC472091
0.7905 Intermediate Similarity NPC472092
0.7905 Intermediate Similarity NPC472090
0.7901 Intermediate Similarity NPC225130
0.7883 Intermediate Similarity NPC56214
0.7883 Intermediate Similarity NPC117780
0.7883 Intermediate Similarity NPC227217
0.7883 Intermediate Similarity NPC165133
0.7883 Intermediate Similarity NPC95614
0.7883 Intermediate Similarity NPC242885
0.7883 Intermediate Similarity NPC232316
0.7875 Intermediate Similarity NPC317272
0.7875 Intermediate Similarity NPC256012
0.7875 Intermediate Similarity NPC250846
0.7875 Intermediate Similarity NPC240841
0.7875 Intermediate Similarity NPC268503
0.7875 Intermediate Similarity NPC42549
0.7853 Intermediate Similarity NPC469979
0.7842 Intermediate Similarity NPC85488
0.7838 Intermediate Similarity NPC260842
0.7832 Intermediate Similarity NPC470706
0.7826 Intermediate Similarity NPC207613
0.7823 Intermediate Similarity NPC193528
0.7817 Intermediate Similarity NPC291449
0.7817 Intermediate Similarity NPC41331
0.7815 Intermediate Similarity NPC238216
0.7815 Intermediate Similarity NPC84684
0.7815 Intermediate Similarity NPC185388
0.7815 Intermediate Similarity NPC208994
0.781 Intermediate Similarity NPC310338
0.781 Intermediate Similarity NPC281298
0.7808 Intermediate Similarity NPC141023
0.7805 Intermediate Similarity NPC473462
0.7805 Intermediate Similarity NPC126128
0.7805 Intermediate Similarity NPC207819
0.7805 Intermediate Similarity NPC110454
0.7805 Intermediate Similarity NPC298981
0.7801 Intermediate Similarity NPC29008
0.7801 Intermediate Similarity NPC228771
0.7801 Intermediate Similarity NPC266705
0.78 Intermediate Similarity NPC472088
0.78 Intermediate Similarity NPC472087
0.7792 Intermediate Similarity NPC478189
0.7786 Intermediate Similarity NPC280704
0.777 Intermediate Similarity NPC184651
0.777 Intermediate Similarity NPC262156
0.777 Intermediate Similarity NPC160380
0.777 Intermediate Similarity NPC113865
0.777 Intermediate Similarity NPC343720
0.777 Intermediate Similarity NPC38996
0.777 Intermediate Similarity NPC473853
0.777 Intermediate Similarity NPC54872
0.777 Intermediate Similarity NPC324571
0.777 Intermediate Similarity NPC470212
0.777 Intermediate Similarity NPC312675
0.7763 Intermediate Similarity NPC473909
0.7763 Intermediate Similarity NPC143120
0.7763 Intermediate Similarity NPC274960
0.7762 Intermediate Similarity NPC307050
0.7762 Intermediate Similarity NPC277458
0.7758 Intermediate Similarity NPC290534
0.7758 Intermediate Similarity NPC32064
0.7754 Intermediate Similarity NPC263835
0.7751 Intermediate Similarity NPC124626
0.7746 Intermediate Similarity NPC251466
0.7746 Intermediate Similarity NPC156944
0.7744 Intermediate Similarity NPC226001
0.7733 Intermediate Similarity NPC472089
0.773 Intermediate Similarity NPC476751
0.7714 Intermediate Similarity NPC471314
0.7714 Intermediate Similarity NPC471315
0.7708 Intermediate Similarity NPC83062
0.7703 Intermediate Similarity NPC77861
0.7703 Intermediate Similarity NPC120852
0.7698 Intermediate Similarity NPC189844
0.7698 Intermediate Similarity NPC109083
0.7698 Intermediate Similarity NPC224814
0.7698 Intermediate Similarity NPC269843
0.7698 Intermediate Similarity NPC60962
0.7698 Intermediate Similarity NPC14007
0.7692 Intermediate Similarity NPC191302
0.7692 Intermediate Similarity NPC99798
0.7692 Intermediate Similarity NPC157740
0.7683 Intermediate Similarity NPC475215
0.7683 Intermediate Similarity NPC108434
0.7676 Intermediate Similarity NPC71105
0.7676 Intermediate Similarity NPC29477
0.7676 Intermediate Similarity NPC207541
0.7676 Intermediate Similarity NPC152186
0.7676 Intermediate Similarity NPC182147
0.7676 Intermediate Similarity NPC170583
0.7676 Intermediate Similarity NPC9067
0.7676 Intermediate Similarity NPC246133
0.7671 Intermediate Similarity NPC303144
0.7671 Intermediate Similarity NPC189482
0.7671 Intermediate Similarity NPC73656
0.7671 Intermediate Similarity NPC474134
0.7671 Intermediate Similarity NPC131128
0.7669 Intermediate Similarity NPC66573
0.7667 Intermediate Similarity NPC262189
0.7667 Intermediate Similarity NPC22317
0.7665 Intermediate Similarity NPC214188
0.7665 Intermediate Similarity NPC301941
0.7665 Intermediate Similarity NPC74618
0.7664 Intermediate Similarity NPC86947
0.7662 Intermediate Similarity NPC476571
0.7662 Intermediate Similarity NPC428
0.7662 Intermediate Similarity NPC135538
0.7662 Intermediate Similarity NPC147390
0.7662 Intermediate Similarity NPC246587
0.7662 Intermediate Similarity NPC24233
0.7662 Intermediate Similarity NPC262297
0.766 Intermediate Similarity NPC31344
0.766 Intermediate Similarity NPC317769
0.766 Intermediate Similarity NPC471693
0.7655 Intermediate Similarity NPC329595
0.7655 Intermediate Similarity NPC326599
0.7651 Intermediate Similarity NPC474390
0.7647 Intermediate Similarity NPC470951
0.7643 Intermediate Similarity NPC56635
0.7639 Intermediate Similarity NPC246974
0.7639 Intermediate Similarity NPC474178
0.7639 Intermediate Similarity NPC245826
0.7639 Intermediate Similarity NPC147247
0.7639 Intermediate Similarity NPC252307
0.7635 Intermediate Similarity NPC93783
0.7633 Intermediate Similarity NPC49172
0.7626 Intermediate Similarity NPC471308
0.7626 Intermediate Similarity NPC160120
0.7626 Intermediate Similarity NPC289330
0.7626 Intermediate Similarity NPC53596
0.7626 Intermediate Similarity NPC17388
0.7622 Intermediate Similarity NPC276014
0.7622 Intermediate Similarity NPC178284
0.7622 Intermediate Similarity NPC191037
0.7622 Intermediate Similarity NPC58607
0.7616 Intermediate Similarity NPC318805
0.7616 Intermediate Similarity NPC41122

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC100478 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
0.8357 Intermediate Similarity NPD2674 Phase 3
0.8286 Intermediate Similarity NPD3145 Approved
0.8286 Intermediate Similarity NPD3144 Approved
0.7947 Intermediate Similarity NPD4123 Phase 3
0.7935 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD2922 Phase 1
0.78 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD6331 Phase 2
0.7778 Intermediate Similarity NPD5718 Phase 2
0.7714 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD4675 Approved
0.7692 Intermediate Similarity NPD4678 Approved
0.7667 Intermediate Similarity NPD7153 Discontinued
0.766 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7639 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD3060 Approved
0.7612 Intermediate Similarity NPD228 Approved
0.7551 Intermediate Similarity NPD1558 Phase 1
0.7551 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD1669 Approved
0.7533 Intermediate Similarity NPD2161 Phase 2
0.7517 Intermediate Similarity NPD6896 Approved
0.7517 Intermediate Similarity NPD6895 Approved
0.7516 Intermediate Similarity NPD5241 Discontinued
0.7516 Intermediate Similarity NPD4005 Discontinued
0.75 Intermediate Similarity NPD2122 Discontinued
0.75 Intermediate Similarity NPD6584 Phase 3
0.7484 Intermediate Similarity NPD4739 Approved
0.7483 Intermediate Similarity NPD7477 Discontinued
0.7466 Intermediate Similarity NPD3027 Phase 3
0.7438 Intermediate Similarity NPD5773 Approved
0.7438 Intermediate Similarity NPD5772 Approved
0.7436 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD7526 Approved
0.7436 Intermediate Similarity NPD52 Approved
0.7423 Intermediate Similarity NPD7201 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD5111 Phase 2
0.7415 Intermediate Similarity NPD5109 Approved
0.7415 Intermediate Similarity NPD5110 Phase 2
0.7407 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7833 Phase 2
0.7407 Intermediate Similarity NPD7831 Phase 2
0.7386 Intermediate Similarity NPD4162 Approved
0.7386 Intermediate Similarity NPD5177 Phase 3
0.7372 Intermediate Similarity NPD5283 Phase 1
0.7368 Intermediate Similarity NPD8053 Approved
0.7368 Intermediate Similarity NPD8054 Approved
0.7361 Intermediate Similarity NPD5310 Approved
0.7361 Intermediate Similarity NPD5311 Approved
0.7346 Intermediate Similarity NPD7773 Phase 2
0.7329 Intermediate Similarity NPD2978 Approved
0.7329 Intermediate Similarity NPD2977 Approved
0.7308 Intermediate Similarity NPD4357 Discontinued
0.7301 Intermediate Similarity NPD5604 Discontinued
0.7292 Intermediate Similarity NPD6583 Phase 3
0.7292 Intermediate Similarity NPD6582 Phase 2
0.729 Intermediate Similarity NPD2219 Phase 1
0.726 Intermediate Similarity NPD7451 Discontinued
0.7255 Intermediate Similarity NPD1375 Discontinued
0.7254 Intermediate Similarity NPD2668 Approved
0.7254 Intermediate Similarity NPD2667 Approved
0.7237 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2233 Approved
0.7222 Intermediate Similarity NPD7089 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2230 Approved
0.7222 Intermediate Similarity NPD2232 Approved
0.7219 Intermediate Similarity NPD5314 Approved
0.7208 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD7438 Suspended
0.7192 Intermediate Similarity NPD3055 Approved
0.7192 Intermediate Similarity NPD3053 Approved
0.7186 Intermediate Similarity NPD4083 Discontinued
0.7161 Intermediate Similarity NPD4236 Phase 3
0.7161 Intermediate Similarity NPD4237 Approved
0.716 Intermediate Similarity NPD5722 Discontinued
0.7143 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7124 Phase 2
0.7134 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD839 Approved
0.7133 Intermediate Similarity NPD840 Approved
0.7123 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7037 Approved
0.7097 Intermediate Similarity NPD1044 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD4993 Discontinued
0.7086 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD3061 Approved
0.7086 Intermediate Similarity NPD3620 Phase 2
0.7086 Intermediate Similarity NPD3062 Approved
0.7086 Intermediate Similarity NPD3059 Approved
0.7081 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD3022 Approved
0.708 Intermediate Similarity NPD3021 Approved
0.7067 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD9379 Approved
0.705 Intermediate Similarity NPD9377 Approved
0.7047 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD4584 Approved
0.7044 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD5536 Phase 2
0.7027 Intermediate Similarity NPD7905 Discontinued
0.7013 Intermediate Similarity NPD4108 Discontinued
0.7 Intermediate Similarity NPD5602 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.6988 Remote Similarity NPD4055 Discovery
0.6988 Remote Similarity NPD8070 Approved
0.6986 Remote Similarity NPD2231 Phase 2
0.6986 Remote Similarity NPD2235 Phase 2
0.698 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1613 Approved
0.6964 Remote Similarity NPD7802 Discontinued
0.6962 Remote Similarity NPD3692 Discontinued
0.6962 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6959 Remote Similarity NPD8251 Approved
0.6959 Remote Similarity NPD8099 Discontinued
0.6959 Remote Similarity NPD8252 Approved
0.6957 Remote Similarity NPD6662 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6949 Remote Similarity NPD7906 Approved
0.6944 Remote Similarity NPD4093 Discontinued
0.6944 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6939 Remote Similarity NPD2983 Phase 2
0.6939 Remote Similarity NPD2982 Phase 2
0.6937 Remote Similarity NPD7447 Phase 1
0.6933 Remote Similarity NPD6502 Phase 2
0.6929 Remote Similarity NPD7843 Approved
0.6923 Remote Similarity NPD3656 Approved
0.6923 Remote Similarity NPD4010 Discontinued
0.6923 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6919 Remote Similarity NPD8156 Discontinued
0.6914 Remote Similarity NPD3686 Approved
0.6914 Remote Similarity NPD3687 Approved
0.6909 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6906 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6897 Remote Similarity NPD9384 Approved
0.6897 Remote Similarity NPD9381 Approved
0.689 Remote Similarity NPD6072 Discontinued
0.689 Remote Similarity NPD3778 Approved
0.689 Remote Similarity NPD7109 Clinical (unspecified phase)
0.689 Remote Similarity NPD7110 Phase 1
0.6887 Remote Similarity NPD1024 Discontinued
0.6883 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6883 Remote Similarity NPD2157 Approved
0.6883 Remote Similarity NPD4097 Suspended
0.6883 Remote Similarity NPD2653 Approved
0.6879 Remote Similarity NPD2808 Discontinued
0.6875 Remote Similarity NPD6581 Approved
0.6875 Remote Similarity NPD6580 Approved
0.6871 Remote Similarity NPD2981 Phase 2
0.6867 Remote Similarity NPD1712 Approved
0.6863 Remote Similarity NPD2238 Phase 2
0.686 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6852 Remote Similarity NPD7131 Phase 3
0.6852 Remote Similarity NPD6031 Approved
0.6852 Remote Similarity NPD6030 Approved
0.6848 Remote Similarity NPD5720 Discontinued
0.6848 Remote Similarity NPD7298 Approved
0.6842 Remote Similarity NPD27 Approved
0.6842 Remote Similarity NPD2028 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2489 Approved
0.6839 Remote Similarity NPD6996 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6111 Discontinued
0.6832 Remote Similarity NPD7019 Approved
0.6832 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7020 Approved
0.6832 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6832 Remote Similarity NPD3985 Discontinued
0.6828 Remote Similarity NPD1357 Approved
0.6826 Remote Similarity NPD6788 Approved
0.6824 Remote Similarity NPD9622 Approved
0.6816 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6815 Remote Similarity NPD7266 Discontinued
0.681 Remote Similarity NPD2883 Discontinued
0.6809 Remote Similarity NPD821 Approved
0.6805 Remote Similarity NPD6746 Phase 2
0.68 Remote Similarity NPD9619 Approved
0.68 Remote Similarity NPD9620 Approved
0.68 Remote Similarity NPD9621 Approved
0.6797 Remote Similarity NPD3530 Approved
0.6797 Remote Similarity NPD3532 Approved
0.6797 Remote Similarity NPD3531 Approved
0.6797 Remote Similarity NPD554 Clinical (unspecified phase)
0.6795 Remote Similarity NPD7425 Clinical (unspecified phase)
0.6788 Remote Similarity NPD6386 Approved
0.6788 Remote Similarity NPD6385 Approved
0.6788 Remote Similarity NPD6873 Phase 2
0.6783 Remote Similarity NPD7157 Approved
0.6783 Remote Similarity NPD709 Approved
0.6779 Remote Similarity NPD9634 Clinical (unspecified phase)
0.6776 Remote Similarity NPD7095 Approved

Structure

External Identifiers

PubChem CID   10438919
ChEMBL   CHEMBL445810
ZINC  

Physicochemical Properties

Molecular Weight:  624.25
ALogP:  -1.4776
MLogP:  4.32
XLogP:  5.972
# Rotatable Bonds:  21
Polar Surface Area:  164.56
# H-Bond Aceptor:  4
# H-Bond Donor:  6
# Rings:  4
# Heavy Atoms:  46

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs