Natural Product: NPC46259

Natural Product ID:  NPC46259
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H18N2O4
Standard InCHIKey:  ZBFUQTFEXPQKQZ-FRYIKTPZSA-N
Standard InCHI:  InChI=1S/C20H18N2O4/c23-16-17(24)22-13-9-15-14(25-10-26-15)8-11(13)12-2-7-21-6-1-3-19(16)4-5-20(12,22)18(19)21/h1-3,8-9,16,18,23H,4-7,10H2/t16-,18-,19-,20+/m0/s1
Canonical SMILES:  O=C1[C@H](O)[C@]23C=CCN4[C@@H]3[C@@]3(N1c1cc5OCOc5cc1C3=CC4)CC2
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
NPO32657 schizozygia coffaeoides Species Apocynaceae Eukaryota PMID[11975502]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT330 Organism Trichophyton mentagrophytes Trichophyton mentagrophytes MIC < 1.95 ug/ml 16124771
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 500 ug/ml Open TG-GATES in vivo data: Hematology
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 500 ug/ml Open TG-GATES in vivo data: Hematology
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 500 ug/ml Open TG-GATES in vivo data: Hematology
NPT19 Organism Escherichia coli Escherichia coli MIC > 250 ug/ml Open TG-GATES in vivo data: Hematology
NPT1780 Organism Davidiella tassiana Davidiella tassiana MIC = 15.6 ug/ml Open TG-GATES in vivo data: Biochemistry
NPT20 Organism Candida albicans Candida albicans MIC = 7.8 ug/ml 22445674
NPT4353 Organism Trichophyton interdigitale Trichophyton interdigitale MIC < 3.9 ug/ml 22445674
NPT487 Organism Cladosporium cladosporioides Cladosporium cladosporioides MIC = 7.8 ug/ml 22445674
NPT328 Organism Epidermophyton floccosum Epidermophyton floccosum MIC > 1.95 ug/ml 22445674
NPT3651 Organism Trichophyton tonsurans Trichophyton tonsurans MIC = 3.9 ug/ml 25743215
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC = 1.95 ug/ml 22381047

  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 NPC46259 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
0.915 High Similarity NPC82541
0.8019 Intermediate Similarity NPC127178
0.789 Intermediate Similarity NPC288110
0.7818 Intermediate Similarity NPC99724
0.7783 Intermediate Similarity NPC148124
0.7778 Intermediate Similarity NPC159815
0.7778 Intermediate Similarity NPC127996
0.7773 Intermediate Similarity NPC318525
0.7773 Intermediate Similarity NPC10653
0.7758 Intermediate Similarity NPC26928
0.7723 Intermediate Similarity NPC248903
0.7717 Intermediate Similarity NPC126556
0.7716 Intermediate Similarity NPC477393
0.77 Intermediate Similarity NPC475147
0.7696 Intermediate Similarity NPC119722
0.765 Intermediate Similarity NPC477396
0.7647 Intermediate Similarity NPC222046
0.7644 Intermediate Similarity NPC473458
0.7615 Intermediate Similarity NPC10732
0.7604 Intermediate Similarity NPC269449
0.7585 Intermediate Similarity NPC473569
0.7565 Intermediate Similarity NPC291173
0.7561 Intermediate Similarity NPC102760
0.7558 Intermediate Similarity NPC475133
0.7556 Intermediate Similarity NPC231924
0.7512 Intermediate Similarity NPC204970
0.75 Intermediate Similarity NPC128476
0.7489 Intermediate Similarity NPC37957
0.7478 Intermediate Similarity NPC19175
0.7478 Intermediate Similarity NPC122886
0.7477 Intermediate Similarity NPC195636
0.7467 Intermediate Similarity NPC250960
0.7467 Intermediate Similarity NPC71539
0.7456 Intermediate Similarity NPC74216
0.7445 Intermediate Similarity NPC266994
0.7431 Intermediate Similarity NPC205926
0.7418 Intermediate Similarity NPC100863
0.7412 Intermediate Similarity NPC471513
0.7411 Intermediate Similarity NPC153923
0.7407 Intermediate Similarity NPC207971
0.7404 Intermediate Similarity NPC477395
0.7383 Intermediate Similarity NPC5374
0.7378 Intermediate Similarity NPC476069
0.7373 Intermediate Similarity NPC268077
0.7371 Intermediate Similarity NPC161804
0.7354 Intermediate Similarity NPC234772
0.7346 Intermediate Similarity NPC473004
0.7336 Intermediate Similarity NPC71124
0.7321 Intermediate Similarity NPC21425
0.7318 Intermediate Similarity NPC477160
0.7297 Intermediate Similarity NPC470482
0.7297 Intermediate Similarity NPC470481
0.7294 Intermediate Similarity NPC87714
0.7293 Intermediate Similarity NPC476436
0.7269 Intermediate Similarity NPC138830
0.7269 Intermediate Similarity NPC67904
0.7261 Intermediate Similarity NPC470480
0.723 Intermediate Similarity NPC254957
0.7215 Intermediate Similarity NPC14339
0.7212 Intermediate Similarity NPC77777
0.7206 Intermediate Similarity NPC266176
0.7206 Intermediate Similarity NPC290759
0.7206 Intermediate Similarity NPC475686
0.7206 Intermediate Similarity NPC82533
0.7206 Intermediate Similarity NPC158148
0.7206 Intermediate Similarity NPC58766
0.7204 Intermediate Similarity NPC477186
0.7198 Intermediate Similarity NPC470821
0.7198 Intermediate Similarity NPC477397
0.7198 Intermediate Similarity NPC474470
0.7196 Intermediate Similarity NPC243626
0.7196 Intermediate Similarity NPC230313
0.7181 Intermediate Similarity NPC219397
0.7171 Intermediate Similarity NPC311991
0.7171 Intermediate Similarity NPC474475
0.717 Intermediate Similarity NPC174629
0.7169 Intermediate Similarity NPC473460
0.7164 Intermediate Similarity NPC97072
0.7164 Intermediate Similarity NPC215829
0.7162 Intermediate Similarity NPC168250
0.7149 Intermediate Similarity NPC476220
0.7149 Intermediate Similarity NPC160113
0.7143 Intermediate Similarity NPC473007
0.7137 Intermediate Similarity NPC476429
0.7136 Intermediate Similarity NPC477640
0.7136 Intermediate Similarity NPC22476
0.7136 Intermediate Similarity NPC225597
0.7136 Intermediate Similarity NPC470739
0.7105 Intermediate Similarity NPC108826
0.7104 Intermediate Similarity NPC477161
0.7097 Intermediate Similarity NPC23080
0.7097 Intermediate Similarity NPC193906
0.7089 Intermediate Similarity NPC473008
0.7067 Intermediate Similarity NPC287152
0.7044 Intermediate Similarity NPC24954
0.7042 Intermediate Similarity NPC230098
0.7033 Intermediate Similarity NPC85613
0.7033 Intermediate Similarity NPC5167
0.7029 Intermediate Similarity NPC476258
0.7029 Intermediate Similarity NPC304837
0.7027 Intermediate Similarity NPC246140
0.7027 Intermediate Similarity NPC195787
0.7017 Intermediate Similarity NPC184680
0.7009 Intermediate Similarity NPC471561
0.7005 Intermediate Similarity NPC162653
0.7004 Intermediate Similarity NPC189661
0.7 Intermediate Similarity NPC15919
0.6987 Remote Similarity NPC151171
0.6987 Remote Similarity NPC470784
0.6987 Remote Similarity NPC474183
0.6987 Remote Similarity NPC470785
0.6978 Remote Similarity NPC476651
0.6977 Remote Similarity NPC203628
0.6976 Remote Similarity NPC247972
0.6975 Remote Similarity NPC154922
0.6971 Remote Similarity NPC469722
0.6968 Remote Similarity NPC473005
0.6967 Remote Similarity NPC474745
0.6967 Remote Similarity NPC244554
0.6965 Remote Similarity NPC78733
0.696 Remote Similarity NPC473006
0.6952 Remote Similarity NPC39822
0.6948 Remote Similarity NPC83511
0.693 Remote Similarity NPC5630
0.693 Remote Similarity NPC55470
0.6927 Remote Similarity NPC97100
0.6927 Remote Similarity NPC320104
0.6927 Remote Similarity NPC473375
0.6923 Remote Similarity NPC232600
0.692 Remote Similarity NPC478075
0.6919 Remote Similarity NPC474325
0.6913 Remote Similarity NPC87560
0.6913 Remote Similarity NPC195120
0.6908 Remote Similarity NPC100566
0.6908 Remote Similarity NPC190332
0.6908 Remote Similarity NPC181653
0.6905 Remote Similarity NPC304675
0.6893 Remote Similarity NPC231198
0.6888 Remote Similarity NPC49583
0.6885 Remote Similarity NPC120239
0.6881 Remote Similarity NPC221687
0.688 Remote Similarity NPC115588
0.6878 Remote Similarity NPC70172
0.6872 Remote Similarity NPC237044
0.6872 Remote Similarity NPC287588
0.6869 Remote Similarity NPC116007
0.6869 Remote Similarity NPC475981
0.6869 Remote Similarity NPC474746
0.6854 Remote Similarity NPC179704
0.6849 Remote Similarity NPC303214
0.6842 Remote Similarity NPC474708
0.684 Remote Similarity NPC294790
0.684 Remote Similarity NPC118633
0.684 Remote Similarity NPC303658
0.684 Remote Similarity NPC148693
0.6835 Remote Similarity NPC302001
0.6833 Remote Similarity NPC267414
0.6831 Remote Similarity NPC113455
0.683 Remote Similarity NPC470484
0.6827 Remote Similarity NPC303374
0.6818 Remote Similarity NPC472191
0.6818 Remote Similarity NPC24228
0.681 Remote Similarity NPC65403
0.6809 Remote Similarity NPC477394
0.6808 Remote Similarity NPC149285
0.6806 Remote Similarity NPC477259
0.6806 Remote Similarity NPC169387
0.6802 Remote Similarity NPC474427
0.6794 Remote Similarity NPC475845
0.6792 Remote Similarity NPC283810
0.6791 Remote Similarity NPC262725
0.6789 Remote Similarity NPC63152
0.6787 Remote Similarity NPC17677
0.6781 Remote Similarity NPC157983
0.6781 Remote Similarity NPC118154
0.6777 Remote Similarity NPC2314
0.6774 Remote Similarity NPC474904
0.6774 Remote Similarity NPC474059
0.6771 Remote Similarity NPC471489
0.6763 Remote Similarity NPC476569
0.6763 Remote Similarity NPC218614
0.6759 Remote Similarity NPC9867
0.6758 Remote Similarity NPC470485
0.6756 Remote Similarity NPC473422
0.6747 Remote Similarity NPC189079
0.6746 Remote Similarity NPC474324
0.6746 Remote Similarity NPC57812
0.6746 Remote Similarity NPC252960
0.6745 Remote Similarity NPC187678
0.6744 Remote Similarity NPC249405
0.6742 Remote Similarity NPC475713
0.6742 Remote Similarity NPC474432
0.6741 Remote Similarity NPC1464
0.6741 Remote Similarity NPC475747
0.674 Remote Similarity NPC317709
0.674 Remote Similarity NPC329329
0.6731 Remote Similarity NPC306669
0.673 Remote Similarity NPC476441
0.6716 Remote Similarity NPC93593
0.6714 Remote Similarity NPC477185

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC46259 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
0.7488 Intermediate Similarity NPD5582 Discontinued
0.7376 Intermediate Similarity NPD6365 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD7280 Phase 3
0.726 Intermediate Similarity NPD7281 Phase 3
0.7195 Intermediate Similarity NPD4859 Phase 1
0.7085 Intermediate Similarity NPD3592 Approved
0.7085 Intermediate Similarity NPD3591 Approved
0.7064 Intermediate Similarity NPD4885 Approved
0.7022 Intermediate Similarity NPD683 Approved
0.7 Intermediate Similarity NPD7149 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3106 Clinical (unspecified phase)
0.6958 Remote Similarity NPD7025 Clinical (unspecified phase)
0.6955 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6941 Remote Similarity NPD5071 Phase 2
0.6906 Remote Similarity NPD5102 Clinical (unspecified phase)
0.6898 Remote Similarity NPD6656 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6826 Remote Similarity NPD5561 Approved
0.6826 Remote Similarity NPD5562 Approved
0.6824 Remote Similarity NPD7805 Phase 3
0.682 Remote Similarity NPD6625 Approved
0.681 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6805 Remote Similarity NPD4846 Phase 2
0.6792 Remote Similarity NPD6297 Approved
0.6787 Remote Similarity NPD6877 Discontinued
0.678 Remote Similarity NPD7186 Phase 3
0.6771 Remote Similarity NPD6238 Discontinued
0.6771 Remote Similarity NPD3416 Discontinued
0.6762 Remote Similarity NPD6517 Phase 3
0.6753 Remote Similarity NPD8149 Discontinued
0.6744 Remote Similarity NPD6853 Approved
0.6744 Remote Similarity NPD6851 Approved
0.6737 Remote Similarity NPD7821 Clinical (unspecified phase)
0.6731 Remote Similarity NPD3984 Clinical (unspecified phase)
0.6731 Remote Similarity NPD3983 Phase 3
0.6727 Remote Similarity NPD6493 Phase 3
0.6715 Remote Similarity NPD4796 Discontinued
0.6714 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6709 Remote Similarity NPD3437 Discontinued
0.6699 Remote Similarity NPD1743 Approved
0.6699 Remote Similarity NPD19 Approved
0.6699 Remote Similarity NPD1742 Approved
0.6698 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6698 Remote Similarity NPD5313 Approved
0.6698 Remote Similarity NPD5600 Discontinued
0.6698 Remote Similarity NPD5312 Approved
0.6696 Remote Similarity NPD7178 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6046 Clinical (unspecified phase)
0.6681 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6681 Remote Similarity NPD6644 Discontinued
0.6667 Remote Similarity NPD3441 Approved
0.6667 Remote Similarity NPD3442 Approved
0.6667 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6652 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6651 Remote Similarity NPD5620 Clinical (unspecified phase)
0.6651 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4420 Approved
0.6624 Remote Similarity NPD3912 Discontinued
0.6624 Remote Similarity NPD7820 Phase 3
0.6612 Remote Similarity NPD6723 Discontinued
0.6608 Remote Similarity NPD4040 Phase 1
0.6602 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6594 Remote Similarity NPD8027 Approved
0.6593 Remote Similarity NPD5006 Approved
0.6593 Remote Similarity NPD5005 Approved
0.6591 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6587 Remote Similarity NPD4926 Clinical (unspecified phase)
0.6578 Remote Similarity NPD5457 Discontinued
0.6571 Remote Similarity NPD6457 Approved
0.6567 Remote Similarity NPD7559 Phase 2
0.6556 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7225 Discontinued
0.655 Remote Similarity NPD7263 Phase 2
0.6545 Remote Similarity NPD2845 Phase 2
0.6545 Remote Similarity NPD2843 Phase 2
0.6541 Remote Similarity NPD8460 Approved
0.6541 Remote Similarity NPD8459 Approved
0.654 Remote Similarity NPD5186 Approved
0.654 Remote Similarity NPD4166 Phase 2
0.654 Remote Similarity NPD5183 Approved
0.6532 Remote Similarity NPD3631 Phase 3
0.653 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6525 Remote Similarity NPD5519 Discontinued
0.6522 Remote Similarity NPD5658 Approved
0.6522 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6518 Remote Similarity NPD2973 Approved
0.6518 Remote Similarity NPD2974 Approved
0.6518 Remote Similarity NPD2975 Approved
0.6515 Remote Similarity NPD8427 Approved
0.6515 Remote Similarity NPD8465 Approved
0.6515 Remote Similarity NPD8429 Approved
0.6515 Remote Similarity NPD8467 Approved
0.6515 Remote Similarity NPD8428 Approved
0.6515 Remote Similarity NPD8466 Approved
0.6513 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6513 Remote Similarity NPD6997 Phase 2
0.6512 Remote Similarity NPD3885 Approved
0.6502 Remote Similarity NPD7796 Approved
0.6502 Remote Similarity NPD7797 Approved
0.65 Remote Similarity NPD7223 Discontinued
0.65 Remote Similarity NPD7224 Discontinued
0.6496 Remote Similarity NPD4897 Phase 2
0.6486 Remote Similarity NPD7296 Approved
0.6476 Remote Similarity NPD3452 Approved
0.6476 Remote Similarity NPD3450 Approved
0.6475 Remote Similarity NPD8364 Approved
0.6475 Remote Similarity NPD8363 Approved
0.6466 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6466 Remote Similarity NPD5860 Discontinued
0.6466 Remote Similarity NPD5645 Phase 3
0.6456 Remote Similarity NPD2899 Discontinued
0.6449 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6444 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6444 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6441 Remote Similarity NPD2488 Approved
0.6441 Remote Similarity NPD2490 Approved
0.6438 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6436 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6432 Remote Similarity NPD4580 Approved
0.6429 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6426 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6419 Remote Similarity NPD5603 Clinical (unspecified phase)
0.6418 Remote Similarity NPD8426 Approved
0.6418 Remote Similarity NPD8425 Approved
0.6413 Remote Similarity NPD3634 Approved
0.6413 Remote Similarity NPD3633 Approved
0.6411 Remote Similarity NPD7560 Approved
0.6404 Remote Similarity NPD2493 Approved
0.6404 Remote Similarity NPD2494 Approved
0.6402 Remote Similarity NPD2898 Approved
0.64 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6398 Remote Similarity NPD5025 Approved
0.6396 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6393 Remote Similarity NPD7284 Clinical (unspecified phase)
0.6393 Remote Similarity NPD2971 Approved
0.6393 Remote Similarity NPD2968 Approved
0.6391 Remote Similarity NPD3298 Approved
0.639 Remote Similarity NPD3639 Approved
0.639 Remote Similarity NPD3640 Phase 3
0.639 Remote Similarity NPD3641 Approved
0.6389 Remote Similarity NPD3793 Phase 3
0.6384 Remote Similarity NPD7262 Phase 1
0.6379 Remote Similarity NPD4082 Approved
0.6376 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5938 Phase 3
0.6371 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6359 Remote Similarity NPD814 Clinical (unspecified phase)
0.6359 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6359 Remote Similarity NPD7479 Phase 2
0.6355 Remote Similarity NPD4083 Discontinued
0.6351 Remote Similarity NPD3349 Phase 2
0.6348 Remote Similarity NPD4004 Approved
0.6348 Remote Similarity NPD4002 Approved
0.6345 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6345 Remote Similarity NPD8016 Phase 3
0.6342 Remote Similarity NPD8255 Phase 2
0.6339 Remote Similarity NPD3479 Discontinued
0.6338 Remote Similarity NPD6107 Approved
0.6333 Remote Similarity NPD6063 Approved
0.6333 Remote Similarity NPD5506 Approved
0.6333 Remote Similarity NPD5507 Approved
0.6331 Remote Similarity NPD6982 Phase 2
0.633 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6329 Remote Similarity NPD4120 Approved
0.6329 Remote Similarity NPD4121 Phase 3
0.6328 Remote Similarity NPD8463 Approved
0.6327 Remote Similarity NPD5548 Clinical (unspecified phase)
0.632 Remote Similarity NPD4583 Approved
0.632 Remote Similarity NPD4582 Approved
0.6318 Remote Similarity NPD5496 Approved
0.6318 Remote Similarity NPD5917 Clinical (unspecified phase)
0.6318 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6318 Remote Similarity NPD8461 Discontinued
0.6316 Remote Similarity NPD3297 Approved
0.6313 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6309 Remote Similarity NPD2907 Approved
0.6309 Remote Similarity NPD2906 Approved
0.6309 Remote Similarity NPD4154 Approved
0.6306 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6306 Remote Similarity NPD4515 Suspended
0.6298 Remote Similarity NPD5742 Approved
0.6298 Remote Similarity NPD5741 Approved
0.6298 Remote Similarity NPD5743 Approved
0.6298 Remote Similarity NPD4206 Approved
0.6296 Remote Similarity NPD7426 Phase 1
0.6296 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6295 Remote Similarity NPD5994 Discontinued
0.6295 Remote Similarity NPD6716 Phase 1
0.6293 Remote Similarity NPD7955 Approved
0.6293 Remote Similarity NPD7956 Approved
0.6291 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6291 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6288 Remote Similarity NPD6612 Phase 2
0.6282 Remote Similarity NPD4917 Discontinued
0.6281 Remote Similarity NPD5566 Clinical (unspecified phase)
0.6281 Remote Similarity NPD7279 Phase 2
0.6281 Remote Similarity NPD7278 Phase 2

Structure

External Identifiers

PubChem CID   10043462
ChEMBL   CHEMBL465857
ZINC  

Physicochemical Properties

Molecular Weight:  350.13
ALogP:  -1.1656
MLogP:  3
XLogP:  0.448
# Rotatable Bonds:  1
Polar Surface Area:  62.24
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  26

Download Data

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Biological Activities  
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