Natural Product: NPC474661

Natural Product ID:  NPC474661
Common Name:   (2S,3R,4S,4Ar,11Bs)-6-Oxo-1,2,3,4,4A,5,6,11B-Octahydro-[1,3]Dioxolo[4,5-J]Phenanthridine-2,3,4,7-Tetrayl Tetraacetate
IUPAC Name:   [(2S,3R,4S,4aR,11bS)-3,4,7-triacetyloxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-2-yl] acetate
Synonyms:  
Molecular Formula:   C22H23NO11
Standard InCHIKey:  KFEHMJDKBKJHRD-SSXBFIPSSA-N
Standard InCHI:  InChI=1S/C22H23NO11/c1-8(24)31-15-6-13-12-5-14-18(30-7-29-14)20(33-10(3)26)16(12)22(28)23-17(13)21(34-11(4)27)19(15)32-9(2)25/h5,13,15,17,19,21H,6-7H2,1-4H3,(H,23,28)/t13-,15-,17+,19+,21-/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)N=C(c1c2cc2OCOc2c1OC(=O)C)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
NPO33168 amaryllidaceae isoquinoline Species Amaryllidaceae Eukaryota PMID[1336040]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus IC50 = 8.1 ug/ml 18951805
NPT4327 Organism Yellow fever virus Yellow fever virus Inhibition = 25 % 19702283
NPT341 Organism Punta Toro virus Punta Toro virus IC50 = 12 ug/ml 26034885
NPT4330 Organism Sandfly fever sicilian virus Sandfly fever sicilian virus Inhibition = 25 % 22439674

  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 NPC474661 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 NPC475919
0.9467 High Similarity NPC475794
0.9357 High Similarity NPC474650
0.9298 High Similarity NPC474607
0.9012 High Similarity NPC1291
0.9012 High Similarity NPC115343
0.9006 High Similarity NPC289743
0.9006 High Similarity NPC110374
0.9 High Similarity NPC474953
0.8772 High Similarity NPC304846
0.8765 High Similarity NPC89199
0.8765 High Similarity NPC54125
0.8663 High Similarity NPC475768
0.8613 High Similarity NPC182257
0.8314 Intermediate Similarity NPC69360
0.8182 Intermediate Similarity NPC198741
0.8156 Intermediate Similarity NPC474051
0.7965 Intermediate Similarity NPC474560
0.7921 Intermediate Similarity NPC180306
0.7903 Intermediate Similarity NPC9867
0.7886 Intermediate Similarity NPC473425
0.7872 Intermediate Similarity NPC470642
0.7849 Intermediate Similarity NPC325720
0.7849 Intermediate Similarity NPC316676
0.7814 Intermediate Similarity NPC187678
0.7807 Intermediate Similarity NPC34780
0.7797 Intermediate Similarity NPC473323
0.776 Intermediate Similarity NPC228040
0.7759 Intermediate Similarity NPC24425
0.7759 Intermediate Similarity NPC473989
0.7738 Intermediate Similarity NPC77572
0.7714 Intermediate Similarity NPC475756
0.7705 Intermediate Similarity NPC477115
0.768 Intermediate Similarity NPC68328
0.7676 Intermediate Similarity NPC237044
0.767 Intermediate Similarity NPC471154
0.767 Intermediate Similarity NPC302610
0.7667 Intermediate Similarity NPC119910
0.7667 Intermediate Similarity NPC189782
0.7661 Intermediate Similarity NPC76415
0.7661 Intermediate Similarity NPC218510
0.7654 Intermediate Similarity NPC4304
0.7647 Intermediate Similarity NPC315913
0.7634 Intermediate Similarity NPC474325
0.7627 Intermediate Similarity NPC24562
0.7627 Intermediate Similarity NPC474606
0.7622 Intermediate Similarity NPC304675
0.7616 Intermediate Similarity NPC326144
0.7614 Intermediate Similarity NPC224472
0.7609 Intermediate Similarity NPC231371
0.7602 Intermediate Similarity NPC287124
0.7598 Intermediate Similarity NPC29727
0.7598 Intermediate Similarity NPC329837
0.7594 Intermediate Similarity NPC474745
0.7594 Intermediate Similarity NPC244554
0.7594 Intermediate Similarity NPC314213
0.7588 Intermediate Similarity NPC11708
0.7584 Intermediate Similarity NPC312763
0.7579 Intermediate Similarity NPC214116
0.7572 Intermediate Similarity NPC327651
0.7572 Intermediate Similarity NPC477702
0.7572 Intermediate Similarity NPC318286
0.7569 Intermediate Similarity NPC218614
0.7568 Intermediate Similarity NPC2314
0.7566 Intermediate Similarity NPC474746
0.7566 Intermediate Similarity NPC475981
0.7558 Intermediate Similarity NPC324962
0.7556 Intermediate Similarity NPC207584
0.7556 Intermediate Similarity NPC19947
0.7543 Intermediate Similarity NPC182119
0.7543 Intermediate Similarity NPC477879
0.7542 Intermediate Similarity NPC238834
0.7542 Intermediate Similarity NPC476065
0.7541 Intermediate Similarity NPC252960
0.7541 Intermediate Similarity NPC474324
0.7541 Intermediate Similarity NPC57812
0.754 Intermediate Similarity NPC15919
0.7538 Intermediate Similarity NPC80472
0.7529 Intermediate Similarity NPC212890
0.7529 Intermediate Similarity NPC321958
0.7529 Intermediate Similarity NPC321696
0.7528 Intermediate Similarity NPC126405
0.7528 Intermediate Similarity NPC308739
0.7528 Intermediate Similarity NPC245948
0.7528 Intermediate Similarity NPC217708
0.7528 Intermediate Similarity NPC16791
0.7528 Intermediate Similarity NPC297271
0.7528 Intermediate Similarity NPC150442
0.7528 Intermediate Similarity NPC53669
0.7528 Intermediate Similarity NPC77237
0.7514 Intermediate Similarity NPC141569
0.7514 Intermediate Similarity NPC230531
0.7514 Intermediate Similarity NPC65403
0.7514 Intermediate Similarity NPC166884
0.7514 Intermediate Similarity NPC215400
0.7514 Intermediate Similarity NPC477701
0.75 Intermediate Similarity NPC475845
0.75 Intermediate Similarity NPC237946
0.75 Intermediate Similarity NPC103637
0.75 Intermediate Similarity NPC32373
0.75 Intermediate Similarity NPC99179
0.75 Intermediate Similarity NPC229172
0.75 Intermediate Similarity NPC36531
0.75 Intermediate Similarity NPC230538
0.7487 Intermediate Similarity NPC474009
0.7487 Intermediate Similarity NPC474470
0.7486 Intermediate Similarity NPC198461
0.7486 Intermediate Similarity NPC90984
0.7474 Intermediate Similarity NPC156576
0.7473 Intermediate Similarity NPC63061
0.7472 Intermediate Similarity NPC176186
0.7472 Intermediate Similarity NPC53587
0.7472 Intermediate Similarity NPC470264
0.7472 Intermediate Similarity NPC169404
0.7471 Intermediate Similarity NPC180953
0.7471 Intermediate Similarity NPC475868
0.7471 Intermediate Similarity NPC307466
0.7459 Intermediate Similarity NPC474708
0.7459 Intermediate Similarity NPC75958
0.7459 Intermediate Similarity NPC311991
0.7459 Intermediate Similarity NPC475592
0.7458 Intermediate Similarity NPC472710
0.7458 Intermediate Similarity NPC472709
0.7458 Intermediate Similarity NPC477381
0.7447 Intermediate Similarity NPC118633
0.7447 Intermediate Similarity NPC314025
0.7447 Intermediate Similarity NPC148693
0.7447 Intermediate Similarity NPC294790
0.7446 Intermediate Similarity NPC100566
0.7444 Intermediate Similarity NPC206736
0.7444 Intermediate Similarity NPC195766
0.7443 Intermediate Similarity NPC252281
0.7443 Intermediate Similarity NPC71726
0.7443 Intermediate Similarity NPC304821
0.7443 Intermediate Similarity NPC327352
0.7443 Intermediate Similarity NPC93924
0.7443 Intermediate Similarity NPC198129
0.7443 Intermediate Similarity NPC270751
0.7443 Intermediate Similarity NPC477375
0.7432 Intermediate Similarity NPC288149
0.7427 Intermediate Similarity NPC292487
0.7423 Intermediate Similarity NPC117717
0.7423 Intermediate Similarity NPC24260
0.7421 Intermediate Similarity NPC248642
0.7418 Intermediate Similarity NPC241600
0.7418 Intermediate Similarity NPC173726
0.7416 Intermediate Similarity NPC477379
0.7414 Intermediate Similarity NPC313414
0.7414 Intermediate Similarity NPC239254
0.7414 Intermediate Similarity NPC172171
0.7414 Intermediate Similarity NPC87883
0.7414 Intermediate Similarity NPC73467
0.7414 Intermediate Similarity NPC121661
0.7412 Intermediate Similarity NPC143895
0.7412 Intermediate Similarity NPC11453
0.7412 Intermediate Similarity NPC254610
0.7409 Intermediate Similarity NPC82763
0.7407 Intermediate Similarity NPC314656
0.7405 Intermediate Similarity NPC83198
0.7405 Intermediate Similarity NPC204908
0.7405 Intermediate Similarity NPC222531
0.7401 Intermediate Similarity NPC477376
0.7401 Intermediate Similarity NPC322426
0.7401 Intermediate Similarity NPC85141
0.7401 Intermediate Similarity NPC477374
0.7398 Intermediate Similarity NPC234318
0.7396 Intermediate Similarity NPC230098
0.7396 Intermediate Similarity NPC57036
0.7391 Intermediate Similarity NPC329717
0.7387 Intermediate Similarity NPC202771
0.7387 Intermediate Similarity NPC119818
0.7387 Intermediate Similarity NPC328700
0.7387 Intermediate Similarity NPC2173
0.7386 Intermediate Similarity NPC39657
0.7385 Intermediate Similarity NPC85381
0.7384 Intermediate Similarity NPC226547
0.738 Intermediate Similarity NPC232386
0.738 Intermediate Similarity NPC152680
0.738 Intermediate Similarity NPC190783
0.7377 Intermediate Similarity NPC91634
0.7377 Intermediate Similarity NPC150943
0.7377 Intermediate Similarity NPC268718
0.7377 Intermediate Similarity NPC96593
0.7374 Intermediate Similarity NPC476352
0.7374 Intermediate Similarity NPC477378
0.7374 Intermediate Similarity NPC215060
0.7374 Intermediate Similarity NPC475229
0.7374 Intermediate Similarity NPC475654
0.7371 Intermediate Similarity NPC41122
0.7371 Intermediate Similarity NPC178014
0.7371 Intermediate Similarity NPC197352
0.7371 Intermediate Similarity NPC42716
0.7371 Intermediate Similarity NPC110763
0.7371 Intermediate Similarity NPC318805
0.7371 Intermediate Similarity NPC189239
0.7371 Intermediate Similarity NPC474749
0.7371 Intermediate Similarity NPC166506
0.7371 Intermediate Similarity NPC11422
0.7363 Intermediate Similarity NPC181168
0.7363 Intermediate Similarity NPC115281

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474661 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
0.807 Intermediate Similarity NPD4005 Discontinued
0.8057 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD7007 Discovery
0.7772 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD6841 Approved
0.7672 Intermediate Similarity NPD6843 Phase 3
0.7672 Intermediate Similarity NPD6842 Approved
0.7596 Intermediate Similarity NPD4481 Phase 3
0.7528 Intermediate Similarity NPD37 Approved
0.7514 Intermediate Similarity NPD4675 Approved
0.7514 Intermediate Similarity NPD4678 Approved
0.75 Intermediate Similarity NPD4966 Approved
0.75 Intermediate Similarity NPD4967 Phase 2
0.75 Intermediate Similarity NPD4965 Approved
0.7488 Intermediate Similarity NPD7827 Phase 1
0.7427 Intermediate Similarity NPD1375 Discontinued
0.7418 Intermediate Similarity NPD6234 Discontinued
0.7407 Intermediate Similarity NPD7549 Discontinued
0.7399 Intermediate Similarity NPD6331 Phase 2
0.7399 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7906 Approved
0.7389 Intermediate Similarity NPD5773 Approved
0.7389 Intermediate Similarity NPD5772 Approved
0.7387 Intermediate Similarity NPD5005 Approved
0.7387 Intermediate Similarity NPD5006 Approved
0.7368 Intermediate Similarity NPD4578 Approved
0.7368 Intermediate Similarity NPD4577 Approved
0.7363 Intermediate Similarity NPD4055 Discovery
0.7351 Intermediate Similarity NPD2970 Approved
0.7351 Intermediate Similarity NPD2969 Approved
0.7344 Intermediate Similarity NPD4663 Approved
0.7337 Intermediate Similarity NPD7199 Phase 2
0.733 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD3051 Approved
0.7293 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD52 Approved
0.7288 Intermediate Similarity NPD7526 Approved
0.7288 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD6746 Phase 2
0.7278 Intermediate Similarity NPD5090 Approved
0.7278 Intermediate Similarity NPD5089 Approved
0.7258 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD4123 Phase 3
0.7219 Intermediate Similarity NPD27 Approved
0.7219 Intermediate Similarity NPD2489 Approved
0.7207 Intermediate Similarity NPD1653 Approved
0.7204 Intermediate Similarity NPD7315 Approved
0.7188 Intermediate Similarity NPD7312 Approved
0.7188 Intermediate Similarity NPD7313 Approved
0.7188 Intermediate Similarity NPD7311 Approved
0.7188 Intermediate Similarity NPD7310 Approved
0.7186 Intermediate Similarity NPD4420 Approved
0.7168 Intermediate Similarity NPD2161 Phase 2
0.715 Intermediate Similarity NPD7309 Approved
0.7143 Intermediate Similarity NPD4237 Approved
0.7143 Intermediate Similarity NPD7228 Approved
0.7143 Intermediate Similarity NPD4236 Phase 3
0.7136 Intermediate Similarity NPD2975 Approved
0.7136 Intermediate Similarity NPD2973 Approved
0.7136 Intermediate Similarity NPD2974 Approved
0.7135 Intermediate Similarity NPD4739 Approved
0.7114 Intermediate Similarity NPD4580 Approved
0.7111 Intermediate Similarity NPD3687 Approved
0.7111 Intermediate Similarity NPD3686 Approved
0.7107 Intermediate Similarity NPD7296 Approved
0.7104 Intermediate Similarity NPD2977 Approved
0.7104 Intermediate Similarity NPD2978 Approved
0.7095 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD2494 Approved
0.7079 Intermediate Similarity NPD2493 Approved
0.7071 Intermediate Similarity NPD7125 Discontinued
0.7065 Intermediate Similarity NPD2563 Approved
0.7065 Intermediate Similarity NPD2560 Approved
0.7062 Intermediate Similarity NPD8053 Approved
0.7062 Intermediate Similarity NPD3692 Discontinued
0.7062 Intermediate Similarity NPD8054 Approved
0.7059 Intermediate Similarity NPD4582 Approved
0.7059 Intermediate Similarity NPD4583 Approved
0.7032 Intermediate Similarity NPD6625 Approved
0.7017 Intermediate Similarity NPD4210 Discontinued
0.7016 Intermediate Similarity NPD8156 Discontinued
0.701 Intermediate Similarity NPD4004 Approved
0.701 Intermediate Similarity NPD4002 Approved
0.6995 Remote Similarity NPD3452 Approved
0.6995 Remote Similarity NPD3450 Approved
0.6966 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6963 Remote Similarity NPD8099 Discontinued
0.6963 Remote Similarity NPD8252 Approved
0.6963 Remote Similarity NPD8251 Approved
0.6957 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5709 Phase 3
0.6944 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6931 Remote Similarity NPD6071 Discontinued
0.6927 Remote Similarity NPD6666 Approved
0.6927 Remote Similarity NPD6667 Approved
0.6923 Remote Similarity NPD8151 Discontinued
0.6915 Remote Similarity NPD5677 Discontinued
0.6915 Remote Similarity NPD4666 Phase 3
0.6914 Remote Similarity NPD4108 Discontinued
0.6911 Remote Similarity NPD3489 Phase 3
0.6907 Remote Similarity NPD7240 Approved
0.6906 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6902 Remote Similarity NPD4772 Phase 2
0.6902 Remote Similarity NPD4773 Phase 2
0.6889 Remote Similarity NPD4357 Discontinued
0.6887 Remote Similarity NPD7047 Phase 3
0.6884 Remote Similarity NPD2488 Approved
0.6884 Remote Similarity NPD2490 Approved
0.6878 Remote Similarity NPD6107 Approved
0.6875 Remote Similarity NPD3818 Discontinued
0.6875 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6872 Remote Similarity NPD5241 Discontinued
0.6872 Remote Similarity NPD2219 Phase 1
0.6872 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6868 Remote Similarity NPD2122 Discontinued
0.6865 Remote Similarity NPD3383 Approved
0.6865 Remote Similarity NPD3384 Approved
0.6865 Remote Similarity NPD3382 Approved
0.686 Remote Similarity NPD1048 Approved
0.6854 Remote Similarity NPD6674 Discontinued
0.6837 Remote Similarity NPD2968 Approved
0.6837 Remote Similarity NPD2971 Approved
0.6836 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6833 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6826 Remote Similarity NPD3705 Approved
0.6811 Remote Similarity NPD6072 Discontinued
0.6809 Remote Similarity NPD5604 Discontinued
0.6804 Remote Similarity NPD5557 Phase 1
0.68 Remote Similarity NPD2157 Approved
0.68 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6798 Remote Similarity NPD7153 Discontinued
0.6796 Remote Similarity NPD7212 Phase 2
0.6796 Remote Similarity NPD7213 Phase 3
0.6793 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6788 Remote Similarity NPD3909 Discontinued
0.6787 Remote Similarity NPD8067 Phase 3
0.6786 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6784 Remote Similarity NPD1712 Approved
0.6782 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6782 Remote Similarity NPD2238 Phase 2
0.6782 Remote Similarity NPD1613 Approved
0.678 Remote Similarity NPD6032 Approved
0.6778 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6778 Remote Similarity NPD2677 Approved
0.6777 Remote Similarity NPD7783 Phase 2
0.6777 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6761 Remote Similarity NPD2200 Suspended
0.676 Remote Similarity NPD5177 Phase 3
0.6758 Remote Similarity NPD7447 Phase 1
0.6757 Remote Similarity NPD6502 Phase 2
0.6753 Remote Similarity NPD5844 Phase 1
0.675 Remote Similarity NPD2845 Phase 2
0.675 Remote Similarity NPD7235 Clinical (unspecified phase)
0.675 Remote Similarity NPD2843 Phase 2
0.6749 Remote Similarity NPD5582 Discontinued
0.6738 Remote Similarity NPD4585 Approved
0.6735 Remote Similarity NPD7039 Approved
0.6735 Remote Similarity NPD7038 Approved
0.6734 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5242 Approved
0.6716 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6705 Remote Similarity NPD3027 Phase 3
0.6704 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6703 Remote Similarity NPD7837 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6682 Remote Similarity NPD7930 Approved
0.6667 Remote Similarity NPD7054 Approved
0.6667 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7583 Approved
0.6667 Remote Similarity NPD7608 Discontinued
0.6667 Remote Similarity NPD7280 Phase 3
0.6667 Remote Similarity NPD7281 Phase 3
0.6667 Remote Similarity NPD6042 Phase 2
0.6667 Remote Similarity NPD4584 Approved
0.6667 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6667 Remote Similarity NPD42 Phase 2
0.6667 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6648 Remote Similarity NPD7124 Phase 2
0.6647 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6638 Remote Similarity NPD8152 Approved
0.6638 Remote Similarity NPD8153 Approved
0.6635 Remote Similarity NPD6823 Phase 2
0.6635 Remote Similarity NPD7585 Approved
0.6633 Remote Similarity NPD7472 Approved
0.6633 Remote Similarity NPD7074 Phase 3
0.663 Remote Similarity NPD2676 Approved
0.663 Remote Similarity NPD7466 Approved
0.663 Remote Similarity NPD4110 Phase 3
0.663 Remote Similarity NPD2675 Approved
0.663 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6629 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6629 Remote Similarity NPD2674 Phase 3
0.6621 Remote Similarity NPD6997 Phase 2

Structure

External Identifiers

PubChem CID   3000374
ChEMBL   CHEMBL478768
ZINC  

Physicochemical Properties

Molecular Weight:  477.13
ALogP:  -1.0733
MLogP:  2.56
XLogP:  1.223
# Rotatable Bonds:  13
Polar Surface Area:  156.25
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  34

Download Data

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Structure MOL file  
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Biological Activities  
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