Natural Product: NPC85702

Natural Product ID:  NPC85702
Common Name:   Purpurin 7 Dimethyl Ester
IUPAC Name:  
Synonyms:   Purpurin 7 Dimethyl Ester
Molecular Formula:   C36H38N4O7
Standard InCHIKey:  DOINJEZQJSBRJI-MMEOGCCCSA-N
Standard InCHI:  InChI=1S/C36H38N4O7/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)42)32(39-25)31(34(43)36(45)47-8)33-30(35(44)46-7)19(6)26(40-33)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,37,40H,1,10-12H2,2-8H3,(H,41,42)/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,32-31+,33-31+/t18-,22-/m0/s1
Canonical SMILES:  COC(=O)C(=O)/C/1=C2/N=C([C@H]([C@@H]2CCC(=O)O)C)/C=c/2[nH]/c(=CC3=N/C(=Cc4[nH]c1c(C(=O)OC)c4C)/C(=C3C)CC)/c(c2C)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
NPO8063 Clerodendrum calamitosum Species Lamiaceae Eukaryota PMID[11473423]
NPO14864 Clerodendrum cyrtophyllum Species Lamiaceae Eukaryota PMID[11473423]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified FC = 0.5 19223615
NPT309 Cell Line 1A9 Homo sapiens ED50 = 0.64 ug/ml 19223615
NPT2 Others Unspecified FC = 0.7 24689881
NPT91 Cell Line KB Homo sapiens ED50 = 0.7 ug/ml 24689881
NPT916 Cell Line SK-MEL Homo sapiens ED50 = 1.1 ug/ml 15332839
NPT2 Others Unspecified FC = 1 DrugMatrix in vitro pharmacology data
NPT81 Cell Line A549 Homo sapiens ED50 = 1.8 ug/ml 18406151
NPT2 Others Unspecified ED50 = 1.3 ug/ml 18396905
NPT83 Cell Line MCF7 Homo sapiens ED50 = 1.6 ug/ml 16499318
NPT180 Cell Line HCT-8 Homo sapiens ED50 = 1.6 ug/ml 16499318

  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 NPC85702 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
0.9843 High Similarity NPC473493
0.8863 High Similarity NPC475619
0.8852 High Similarity NPC27324
0.8852 High Similarity NPC268676
0.885 High Similarity NPC187255
0.8769 High Similarity NPC195457
0.87 High Similarity NPC257175
0.7784 Intermediate Similarity NPC287795
0.7523 Intermediate Similarity NPC36405
0.7465 Intermediate Similarity NPC132539
0.7451 Intermediate Similarity NPC160381
0.7409 Intermediate Similarity NPC312645
0.7356 Intermediate Similarity NPC67551
0.7352 Intermediate Similarity NPC89508
0.7339 Intermediate Similarity NPC82370
0.7316 Intermediate Similarity NPC15801
0.7296 Intermediate Similarity NPC26491
0.7273 Intermediate Similarity NPC326479
0.7264 Intermediate Similarity NPC67288
0.7248 Intermediate Similarity NPC469743
0.7238 Intermediate Similarity NPC247735
0.7238 Intermediate Similarity NPC269886
0.7238 Intermediate Similarity NPC81802
0.7238 Intermediate Similarity NPC472210
0.7238 Intermediate Similarity NPC472295
0.7236 Intermediate Similarity NPC46359
0.7235 Intermediate Similarity NPC314297
0.7235 Intermediate Similarity NPC315545
0.7225 Intermediate Similarity NPC138370
0.7214 Intermediate Similarity NPC191310
0.7212 Intermediate Similarity NPC221873
0.7202 Intermediate Similarity NPC39679
0.7189 Intermediate Similarity NPC314855
0.7189 Intermediate Similarity NPC313345
0.7189 Intermediate Similarity NPC315638
0.7189 Intermediate Similarity NPC313796
0.7176 Intermediate Similarity NPC134848
0.7176 Intermediate Similarity NPC165599
0.7173 Intermediate Similarity NPC178858
0.717 Intermediate Similarity NPC472293
0.7162 Intermediate Similarity NPC474412
0.7156 Intermediate Similarity NPC244741
0.7137 Intermediate Similarity NPC229893
0.7136 Intermediate Similarity NPC141454
0.7136 Intermediate Similarity NPC314834
0.7109 Intermediate Similarity NPC472292
0.7104 Intermediate Similarity NPC87413
0.7103 Intermediate Similarity NPC131887
0.71 Intermediate Similarity NPC267853
0.7098 Intermediate Similarity NPC249428
0.7087 Intermediate Similarity NPC33949
0.7083 Intermediate Similarity NPC165964
0.708 Intermediate Similarity NPC276657
0.7075 Intermediate Similarity NPC267343
0.7072 Intermediate Similarity NPC12344
0.707 Intermediate Similarity NPC472297
0.707 Intermediate Similarity NPC472296
0.707 Intermediate Similarity NPC74413
0.7069 Intermediate Similarity NPC244897
0.7066 Intermediate Similarity NPC329982
0.7064 Intermediate Similarity NPC314648
0.7059 Intermediate Similarity NPC84347
0.7056 Intermediate Similarity NPC227582
0.7051 Intermediate Similarity NPC260900
0.7048 Intermediate Similarity NPC2395
0.704 Intermediate Similarity NPC31700
0.7039 Intermediate Similarity NPC70155
0.7037 Intermediate Similarity NPC252338
0.7035 Intermediate Similarity NPC74360
0.7032 Intermediate Similarity NPC300156
0.7031 Intermediate Similarity NPC476818
0.7031 Intermediate Similarity NPC235885
0.7014 Intermediate Similarity NPC154339
0.7009 Intermediate Similarity NPC477979
0.7009 Intermediate Similarity NPC316411
0.7008 Intermediate Similarity NPC478083
0.7 Intermediate Similarity NPC278434
0.7 Intermediate Similarity NPC321428
0.7 Intermediate Similarity NPC4687
0.6991 Remote Similarity NPC241024
0.6979 Remote Similarity NPC473187
0.6978 Remote Similarity NPC3207
0.697 Remote Similarity NPC478078
0.6959 Remote Similarity NPC214428
0.6955 Remote Similarity NPC313280
0.6948 Remote Similarity NPC55493
0.6947 Remote Similarity NPC472285
0.694 Remote Similarity NPC194740
0.6933 Remote Similarity NPC118228
0.693 Remote Similarity NPC174760
0.6927 Remote Similarity NPC471944
0.6916 Remote Similarity NPC264285
0.6916 Remote Similarity NPC192306
0.6903 Remote Similarity NPC74969
0.6903 Remote Similarity NPC132211
0.6897 Remote Similarity NPC192712
0.6892 Remote Similarity NPC266249
0.689 Remote Similarity NPC117027
0.6889 Remote Similarity NPC472291
0.6884 Remote Similarity NPC19692
0.6884 Remote Similarity NPC220151
0.688 Remote Similarity NPC315062
0.6878 Remote Similarity NPC277350
0.6872 Remote Similarity NPC169402
0.687 Remote Similarity NPC16352
0.6861 Remote Similarity NPC271862
0.6847 Remote Similarity NPC243850
0.6844 Remote Similarity NPC118940
0.6844 Remote Similarity NPC219087
0.6842 Remote Similarity NPC184408
0.684 Remote Similarity NPC51388
0.6835 Remote Similarity NPC57453
0.6832 Remote Similarity NPC8104
0.683 Remote Similarity NPC123839
0.6828 Remote Similarity NPC469928
0.6827 Remote Similarity NPC55772
0.6825 Remote Similarity NPC282103
0.6818 Remote Similarity NPC476073
0.6818 Remote Similarity NPC193761
0.6816 Remote Similarity NPC258062
0.6814 Remote Similarity NPC317752
0.6808 Remote Similarity NPC473666
0.6806 Remote Similarity NPC276517
0.6802 Remote Similarity NPC82053
0.6802 Remote Similarity NPC45190
0.6795 Remote Similarity NPC311906
0.6787 Remote Similarity NPC317572
0.6784 Remote Similarity NPC116238
0.6783 Remote Similarity NPC150239
0.6782 Remote Similarity NPC214106
0.678 Remote Similarity NPC132329
0.678 Remote Similarity NPC475720
0.678 Remote Similarity NPC474192
0.6779 Remote Similarity NPC111275
0.6778 Remote Similarity NPC101350
0.6777 Remote Similarity NPC81939
0.6776 Remote Similarity NPC314333
0.6776 Remote Similarity NPC14812
0.6776 Remote Similarity NPC83111
0.6776 Remote Similarity NPC329858
0.6774 Remote Similarity NPC79356
0.6774 Remote Similarity NPC102592
0.6771 Remote Similarity NPC249583
0.6771 Remote Similarity NPC225821
0.677 Remote Similarity NPC110182
0.677 Remote Similarity NPC318299
0.677 Remote Similarity NPC87856
0.6769 Remote Similarity NPC96321
0.6762 Remote Similarity NPC91868
0.6762 Remote Similarity NPC63971
0.6756 Remote Similarity NPC303951
0.6754 Remote Similarity NPC148183
0.6754 Remote Similarity NPC330009
0.6754 Remote Similarity NPC203614
0.6754 Remote Similarity NPC152768
0.6753 Remote Similarity NPC60621
0.6753 Remote Similarity NPC280799
0.675 Remote Similarity NPC475816
0.6749 Remote Similarity NPC475666
0.6749 Remote Similarity NPC469734
0.6742 Remote Similarity NPC137589
0.674 Remote Similarity NPC39500
0.674 Remote Similarity NPC267965
0.6736 Remote Similarity NPC235685
0.6729 Remote Similarity NPC102338
0.6729 Remote Similarity NPC63199
0.6729 Remote Similarity NPC196251
0.6729 Remote Similarity NPC111602
0.6729 Remote Similarity NPC321708
0.6728 Remote Similarity NPC202812
0.6728 Remote Similarity NPC474121
0.6726 Remote Similarity NPC23294
0.6726 Remote Similarity NPC9894
0.6723 Remote Similarity NPC274640
0.6722 Remote Similarity NPC477066
0.6721 Remote Similarity NPC17437
0.6714 Remote Similarity NPC315555
0.6712 Remote Similarity NPC306376
0.6712 Remote Similarity NPC102008
0.6711 Remote Similarity NPC472070
0.6711 Remote Similarity NPC284102
0.6711 Remote Similarity NPC472752
0.6709 Remote Similarity NPC244839
0.6709 Remote Similarity NPC207686
0.6709 Remote Similarity NPC320324
0.6709 Remote Similarity NPC319880
0.6706 Remote Similarity NPC152620
0.6698 Remote Similarity NPC469489
0.6697 Remote Similarity NPC245916
0.6696 Remote Similarity NPC303658
0.6696 Remote Similarity NPC247803
0.6696 Remote Similarity NPC473041
0.6696 Remote Similarity NPC477065
0.6695 Remote Similarity NPC38959
0.6695 Remote Similarity NPC327904
0.6694 Remote Similarity NPC478081
0.6694 Remote Similarity NPC477067
0.6694 Remote Similarity NPC473540
0.6694 Remote Similarity NPC478080
0.6694 Remote Similarity NPC478082

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC85702 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
0.9293 High Similarity NPD8160 Phase 2
0.8856 High Similarity NPD8096 Phase 3
0.8856 High Similarity NPD8097 Phase 3
0.8614 High Similarity NPD7941 Phase 3
0.86 High Similarity NPD56 Approved
0.86 High Similarity NPD8282 Approved
0.86 High Similarity NPD8283 Approved
0.8579 High Similarity NPD7946 Pre-registration
0.8507 High Similarity NPD8098 Approved
0.8083 Intermediate Similarity NPD7865 Approved
0.8029 Intermediate Similarity NPD8423 Phase 2
0.8029 Intermediate Similarity NPD8399 Phase 1
0.75 Intermediate Similarity NPD2844 Phase 3
0.7411 Intermediate Similarity NPD7866 Approved
0.7407 Intermediate Similarity NPD4506 Discontinued
0.7306 Intermediate Similarity NPD6657 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD5003 Discontinued
0.7281 Intermediate Similarity NPD2510 Approved
0.7281 Intermediate Similarity NPD2509 Approved
0.7277 Intermediate Similarity NPD7869 Discontinued
0.7273 Intermediate Similarity NPD7864 Approved
0.7265 Intermediate Similarity NPD6770 Approved
0.723 Intermediate Similarity NPD8396 Approved
0.723 Intermediate Similarity NPD8395 Approved
0.7186 Intermediate Similarity NPD7863 Approved
0.7182 Intermediate Similarity NPD7470 Discontinued
0.7143 Intermediate Similarity NPD7878 Phase 2
0.7143 Intermediate Similarity NPD3947 Discontinued
0.7103 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4373 Phase 2
0.7018 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD2565 Phase 2
0.7014 Intermediate Similarity NPD2564 Approved
0.6983 Remote Similarity NPD4952 Phase 3
0.6981 Remote Similarity NPD5592 Clinical (unspecified phase)
0.6978 Remote Similarity NPD3394 Approved
0.6978 Remote Similarity NPD3389 Approved
0.6978 Remote Similarity NPD3393 Approved
0.6919 Remote Similarity NPD4948 Discontinued
0.6909 Remote Similarity NPD5901 Discontinued
0.6897 Remote Similarity NPD6292 Clinical (unspecified phase)
0.688 Remote Similarity NPD7688 Phase 1
0.6878 Remote Similarity NPD7001 Phase 3
0.6878 Remote Similarity NPD8403 Phase 1
0.6875 Remote Similarity NPD8464 Clinical (unspecified phase)
0.687 Remote Similarity NPD6995 Phase 1
0.6863 Remote Similarity NPD1575 Approved
0.6863 Remote Similarity NPD1573 Approved
0.6853 Remote Similarity NPD7882 Clinical (unspecified phase)
0.6835 Remote Similarity NPD6999 Discontinued
0.6835 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6833 Remote Similarity NPD5426 Phase 3
0.6809 Remote Similarity NPD6962 Phase 2
0.6802 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6787 Remote Similarity NPD6176 Phase 1
0.678 Remote Similarity NPD6263 Clinical (unspecified phase)
0.6776 Remote Similarity NPD4499 Approved
0.6741 Remote Similarity NPD7665 Phase 2
0.6741 Remote Similarity NPD7666 Phase 3
0.674 Remote Similarity NPD3795 Approved
0.674 Remote Similarity NPD3794 Approved
0.6726 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6721 Remote Similarity NPD8358 Approved
0.6712 Remote Similarity NPD7777 Approved
0.6712 Remote Similarity NPD7778 Approved
0.6712 Remote Similarity NPD2920 Discontinued
0.6712 Remote Similarity NPD53 Approved
0.6698 Remote Similarity NPD2091 Phase 2
0.6698 Remote Similarity NPD2096 Phase 2
0.6696 Remote Similarity NPD4852 Phase 2
0.6695 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6693 Remote Similarity NPD7393 Clinical (unspecified phase)
0.6682 Remote Similarity NPD3178 Discontinued
0.6682 Remote Similarity NPD2721 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6987 Phase 1
0.6681 Remote Similarity NPD6733 Discontinued
0.6667 Remote Similarity NPD3258 Approved
0.6652 Remote Similarity NPD2715 Clinical (unspecified phase)
0.6652 Remote Similarity NPD5475 Discontinued
0.6652 Remote Similarity NPD3507 Phase 2
0.6652 Remote Similarity NPD4500 Approved
0.6652 Remote Similarity NPD4501 Approved
0.6651 Remote Similarity NPD2095 Phase 2
0.6651 Remote Similarity NPD2094 Phase 2
0.6651 Remote Similarity NPD2092 Phase 2
0.6641 Remote Similarity NPD8465 Approved
0.6641 Remote Similarity NPD8428 Approved
0.6641 Remote Similarity NPD8429 Approved
0.6641 Remote Similarity NPD8467 Approved
0.6641 Remote Similarity NPD8466 Approved
0.6641 Remote Similarity NPD8427 Approved
0.6638 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6623 Remote Similarity NPD7605 Discovery
0.6623 Remote Similarity NPD5632 Approved
0.6619 Remote Similarity NPD6641 Approved
0.6619 Remote Similarity NPD6642 Approved
0.661 Remote Similarity NPD4328 Approved
0.6607 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6606 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6603 Remote Similarity NPD4736 Clinical (unspecified phase)
0.6602 Remote Similarity NPD8363 Approved
0.6602 Remote Similarity NPD8364 Approved
0.6585 Remote Similarity NPD5140 Approved
0.6585 Remote Similarity NPD5138 Approved
0.6585 Remote Similarity NPD1631 Approved
0.6579 Remote Similarity NPD5416 Discontinued
0.6579 Remote Similarity NPD8013 Clinical (unspecified phase)
0.6574 Remote Similarity NPD1534 Approved
0.6573 Remote Similarity NPD5596 Phase 2
0.6567 Remote Similarity NPD1996 Discontinued
0.6567 Remote Similarity NPD6242 Discontinued
0.6557 Remote Similarity NPD1643 Phase 3
0.655 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6543 Remote Similarity NPD2921 Clinical (unspecified phase)
0.654 Remote Similarity NPD6164 Phase 2
0.654 Remote Similarity NPD6165 Phase 2
0.654 Remote Similarity NPD8459 Approved
0.654 Remote Similarity NPD8460 Approved
0.654 Remote Similarity NPD8426 Approved
0.654 Remote Similarity NPD3259 Approved
0.654 Remote Similarity NPD8425 Approved
0.6535 Remote Similarity NPD4900 Clinical (unspecified phase)
0.6509 Remote Similarity NPD8304 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6507 Remote Similarity NPD7070 Clinical (unspecified phase)
0.6507 Remote Similarity NPD6567 Clinical (unspecified phase)
0.6504 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6504 Remote Similarity NPD4901 Clinical (unspecified phase)
0.6502 Remote Similarity NPD4600 Approved
0.6502 Remote Similarity NPD8248 Clinical (unspecified phase)
0.6502 Remote Similarity NPD4601 Approved
0.6496 Remote Similarity NPD3280 Approved
0.6495 Remote Similarity NPD5728 Clinical (unspecified phase)
0.6494 Remote Similarity NPD3757 Clinical (unspecified phase)
0.6494 Remote Similarity NPD5293 Phase 2
0.6494 Remote Similarity NPD3257 Approved
0.6493 Remote Similarity NPD749 Clinical (unspecified phase)
0.6488 Remote Similarity NPD3006 Discontinued
0.6468 Remote Similarity NPD3835 Phase 3
0.6468 Remote Similarity NPD3833 Phase 3
0.6463 Remote Similarity NPD648 Clinical (unspecified phase)
0.6463 Remote Similarity NPD7998 Clinical (unspecified phase)
0.6456 Remote Similarity NPD3925 Approved
0.645 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6447 Remote Similarity NPD1592 Phase 3
0.6445 Remote Similarity NPD482 Approved
0.6441 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6439 Remote Similarity NPD1630 Approved
0.6432 Remote Similarity NPD3746 Discontinued
0.6429 Remote Similarity NPD484 Approved
0.6429 Remote Similarity NPD7711 Discontinued
0.6425 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6422 Remote Similarity NPD276 Clinical (unspecified phase)
0.6422 Remote Similarity NPD8112 Clinical (unspecified phase)
0.6419 Remote Similarity NPD6529 Discontinued
0.6416 Remote Similarity NPD8072 Approved
0.641 Remote Similarity NPD4429 Discontinued
0.6409 Remote Similarity NPD6665 Discontinued
0.6407 Remote Similarity NPD5866 Approved
0.6405 Remote Similarity NPD7950 Approved
0.6405 Remote Similarity NPD7791 Approved
0.6405 Remote Similarity NPD7953 Approved
0.6405 Remote Similarity NPD7952 Approved
0.6405 Remote Similarity NPD7789 Approved
0.6405 Remote Similarity NPD7951 Approved
0.6405 Remote Similarity NPD7790 Approved
0.6404 Remote Similarity NPD8322 Phase 2
0.64 Remote Similarity NPD5482 Discontinued
0.6392 Remote Similarity NPD6531 Approved
0.6392 Remote Similarity NPD6530 Approved
0.6389 Remote Similarity NPD8463 Approved
0.6376 Remote Similarity NPD7947 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5257 Clinical (unspecified phase)
0.6372 Remote Similarity NPD8073 Approved
0.6364 Remote Similarity NPD3960 Clinical (unspecified phase)
0.6355 Remote Similarity NPD1587 Approved
0.6352 Remote Similarity NPD7853 Phase 2
0.6351 Remote Similarity NPD485 Clinical (unspecified phase)
0.6349 Remote Similarity NPD5479 Discontinued
0.6349 Remote Similarity NPD8512 Phase 3
0.6338 Remote Similarity NPD3004 Clinical (unspecified phase)
0.6337 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6333 Remote Similarity NPD7268 Clinical (unspecified phase)
0.6333 Remote Similarity NPD7731 Approved
0.6333 Remote Similarity NPD7730 Approved
0.6333 Remote Similarity NPD7994 Phase 2
0.6328 Remote Similarity NPD7708 Approved
0.6327 Remote Similarity NPD7690 Clinical (unspecified phase)
0.6327 Remote Similarity NPD4958 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6596 Phase 2
0.6325 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6323 Remote Similarity NPD7818 Clinical (unspecified phase)
0.6314 Remote Similarity NPD7404 Approved
0.6312 Remote Similarity NPD8279 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6142 Phase 3
0.6307 Remote Similarity NPD7781 Approved
0.6307 Remote Similarity NPD7780 Approved
0.6305 Remote Similarity NPD7921 Approved
0.6304 Remote Similarity NPD6376 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL510481
ZINC  

Physicochemical Properties

Molecular Weight:  638.27
ALogP:  1.8127
MLogP:  4.21
XLogP:  5.686
# Rotatable Bonds:  18
Polar Surface Area:  164.33
# H-Bond Aceptor:  11
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  47

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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