Natural Product: NPC271808

Natural Product ID:  NPC271808
Common Name:   Kukoamine A
IUPAC Name:   3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
Synonyms:   Kukoamine A
Molecular Formula:   C28H42N4O6
Standard InCHIKey:  IOLDDENZPBFBHV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
Canonical SMILES:  OC(=NCCCNCCCCNCCCN=C(CCc1ccc(c(c1)O)O)O)CCc1ccc(c(c1)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
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCM_Taiwan*
NPO17823 Lycium chinense Species Solanaceae Eukaryota HerDing*
NPO19674 Lycii cortex NA NA NA TCMSP*
NPO8251 Cortex lycii radicis NA NA NA TCMID*
NPO17823 Lycium chinense Species Solanaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT991 Individual Protein Trypanothione reductase Trypanosoma cruzi Ki = 76 nM 11055357
NPT5632 Individual Protein Trypanothione reductase Crithidia fasciculata Ki = 1800 nM 18558492
NPT5632 Individual Protein Trypanothione reductase Crithidia fasciculata Ki = 13000 nM 18558492
NPT2 Others Unspecified Activity = 100 % 21041094
NPT2 Others Unspecified Activity = 96 % 21041094
NPT35 Others n.a. Inhibition = 72 % 21041094
NPT2 Others Unspecified IC50 = 9500 nM 21041094
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 43 % 21041094

  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 NPC271808 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
0.8862 High Similarity NPC268572
0.8629 High Similarity NPC122009
0.8548 High Similarity NPC283468
0.8385 Intermediate Similarity NPC318965
0.8333 Intermediate Similarity NPC85276
0.8281 Intermediate Similarity NPC284078
0.816 Intermediate Similarity NPC142599
0.8145 Intermediate Similarity NPC146422
0.8125 Intermediate Similarity NPC283760
0.8088 Intermediate Similarity NPC267237
0.8074 Intermediate Similarity NPC114102
0.8 Intermediate Similarity NPC168861
0.8 Intermediate Similarity NPC323123
0.7985 Intermediate Similarity NPC186898
0.7985 Intermediate Similarity NPC251571
0.7929 Intermediate Similarity NPC211468
0.7929 Intermediate Similarity NPC219233
0.7929 Intermediate Similarity NPC170170
0.7923 Intermediate Similarity NPC252817
0.7883 Intermediate Similarity NPC214869
0.7868 Intermediate Similarity NPC52029
0.7868 Intermediate Similarity NPC35961
0.7868 Intermediate Similarity NPC195749
0.7857 Intermediate Similarity NPC214988
0.7852 Intermediate Similarity NPC477839
0.7829 Intermediate Similarity NPC38458
0.7829 Intermediate Similarity NPC311737
0.7823 Intermediate Similarity NPC24101
0.7823 Intermediate Similarity NPC96224
0.7812 Intermediate Similarity NPC317254
0.781 Intermediate Similarity NPC326966
0.7794 Intermediate Similarity NPC155838
0.7787 Intermediate Similarity NPC471511
0.7778 Intermediate Similarity NPC323775
0.7778 Intermediate Similarity NPC236347
0.776 Intermediate Similarity NPC258056
0.776 Intermediate Similarity NPC254833
0.776 Intermediate Similarity NPC228343
0.7752 Intermediate Similarity NPC82963
0.7714 Intermediate Similarity NPC6913
0.7705 Intermediate Similarity NPC196479
0.7698 Intermediate Similarity NPC147634
0.7698 Intermediate Similarity NPC474149
0.7698 Intermediate Similarity NPC226401
0.7698 Intermediate Similarity NPC174096
0.7698 Intermediate Similarity NPC79793
0.7698 Intermediate Similarity NPC120982
0.7686 Intermediate Similarity NPC223393
0.768 Intermediate Similarity NPC153690
0.7664 Intermediate Similarity NPC325651
0.7661 Intermediate Similarity NPC231705
0.7652 Intermediate Similarity NPC169207
0.7652 Intermediate Similarity NPC115627
0.7652 Intermediate Similarity NPC118522
0.7638 Intermediate Similarity NPC179002
0.7638 Intermediate Similarity NPC257430
0.7638 Intermediate Similarity NPC297657
0.7638 Intermediate Similarity NPC187583
0.7626 Intermediate Similarity NPC302171
0.7626 Intermediate Similarity NPC33338
0.7626 Intermediate Similarity NPC300020
0.7619 Intermediate Similarity NPC71266
0.7619 Intermediate Similarity NPC55617
0.7619 Intermediate Similarity NPC62258
0.7606 Intermediate Similarity NPC14600
0.7606 Intermediate Similarity NPC160607
0.7606 Intermediate Similarity NPC204848
0.7606 Intermediate Similarity NPC41473
0.7606 Intermediate Similarity NPC312770
0.7603 Intermediate Similarity NPC5462
0.76 Intermediate Similarity NPC142297
0.7591 Intermediate Similarity NPC153990
0.7581 Intermediate Similarity NPC239291
0.7571 Intermediate Similarity NPC6854
0.7571 Intermediate Similarity NPC313737
0.7571 Intermediate Similarity NPC285078
0.7552 Intermediate Similarity NPC299583
0.7521 Intermediate Similarity NPC109955
0.7521 Intermediate Similarity NPC107619
0.7518 Intermediate Similarity NPC301713
0.7517 Intermediate Similarity NPC222039
0.7517 Intermediate Similarity NPC100478
0.75 Intermediate Similarity NPC130595
0.75 Intermediate Similarity NPC93882
0.7462 Intermediate Similarity NPC120280
0.7462 Intermediate Similarity NPC118202
0.7431 Intermediate Similarity NPC296898
0.7426 Intermediate Similarity NPC140359
0.7426 Intermediate Similarity NPC13020
0.7419 Intermediate Similarity NPC178902
0.7419 Intermediate Similarity NPC68055
0.7405 Intermediate Similarity NPC37302
0.7402 Intermediate Similarity NPC233835
0.7394 Intermediate Similarity NPC218530
0.7381 Intermediate Similarity NPC477814
0.7364 Intermediate Similarity NPC268032
0.7348 Intermediate Similarity NPC61062
0.7348 Intermediate Similarity NPC277394
0.7348 Intermediate Similarity NPC299252
0.7339 Intermediate Similarity NPC110764
0.7338 Intermediate Similarity NPC161593
0.7338 Intermediate Similarity NPC145888
0.7338 Intermediate Similarity NPC16031
0.7329 Intermediate Similarity NPC323204
0.7329 Intermediate Similarity NPC326241
0.7317 Intermediate Similarity NPC125732
0.7313 Intermediate Similarity NPC217174
0.731 Intermediate Similarity NPC476989
0.7308 Intermediate Similarity NPC51698
0.7305 Intermediate Similarity NPC255550
0.7305 Intermediate Similarity NPC308885
0.7303 Intermediate Similarity NPC76213
0.7303 Intermediate Similarity NPC277669
0.7303 Intermediate Similarity NPC127402
0.7299 Intermediate Similarity NPC318777
0.7293 Intermediate Similarity NPC175799
0.7293 Intermediate Similarity NPC610
0.7293 Intermediate Similarity NPC145023
0.7293 Intermediate Similarity NPC137096
0.7293 Intermediate Similarity NPC200988
0.7273 Intermediate Similarity NPC213
0.7273 Intermediate Similarity NPC10286
0.7267 Intermediate Similarity NPC115144
0.7267 Intermediate Similarity NPC277857
0.7266 Intermediate Similarity NPC58427
0.7266 Intermediate Similarity NPC105727
0.7266 Intermediate Similarity NPC34864
0.7266 Intermediate Similarity NPC114392
0.726 Intermediate Similarity NPC477838
0.726 Intermediate Similarity NPC477837
0.7259 Intermediate Similarity NPC475245
0.7255 Intermediate Similarity NPC275027
0.7254 Intermediate Similarity NPC244866
0.7254 Intermediate Similarity NPC149379
0.7252 Intermediate Similarity NPC471485
0.7241 Intermediate Similarity NPC48202
0.7239 Intermediate Similarity NPC144343
0.7239 Intermediate Similarity NPC470626
0.7239 Intermediate Similarity NPC86198
0.7231 Intermediate Similarity NPC280382
0.7226 Intermediate Similarity NPC298486
0.7226 Intermediate Similarity NPC475544
0.7222 Intermediate Similarity NPC12278
0.7222 Intermediate Similarity NPC64205
0.7222 Intermediate Similarity NPC120719
0.7213 Intermediate Similarity NPC274678
0.7213 Intermediate Similarity NPC107522
0.7213 Intermediate Similarity NPC32714
0.7208 Intermediate Similarity NPC477564
0.7208 Intermediate Similarity NPC2295
0.7206 Intermediate Similarity NPC24125
0.7188 Intermediate Similarity NPC176527
0.7185 Intermediate Similarity NPC263386
0.7185 Intermediate Similarity NPC141791
0.7185 Intermediate Similarity NPC70084
0.7185 Intermediate Similarity NPC470214
0.7185 Intermediate Similarity NPC470215
0.7185 Intermediate Similarity NPC109371
0.7185 Intermediate Similarity NPC43275
0.7183 Intermediate Similarity NPC473724
0.7177 Intermediate Similarity NPC131587
0.7171 Intermediate Similarity NPC60538
0.7171 Intermediate Similarity NPC207824
0.7164 Intermediate Similarity NPC277588
0.7164 Intermediate Similarity NPC278652
0.7164 Intermediate Similarity NPC86947
0.7164 Intermediate Similarity NPC293619
0.7161 Intermediate Similarity NPC107602
0.7154 Intermediate Similarity NPC33168
0.7153 Intermediate Similarity NPC27581
0.7153 Intermediate Similarity NPC237667
0.7133 Intermediate Similarity NPC307123
0.7133 Intermediate Similarity NPC88667
0.7133 Intermediate Similarity NPC97870
0.7133 Intermediate Similarity NPC247018
0.7132 Intermediate Similarity NPC95614
0.7132 Intermediate Similarity NPC265454
0.7132 Intermediate Similarity NPC56214
0.7132 Intermediate Similarity NPC34634
0.7132 Intermediate Similarity NPC165133
0.7132 Intermediate Similarity NPC242885
0.7132 Intermediate Similarity NPC227217
0.7132 Intermediate Similarity NPC232316
0.7132 Intermediate Similarity NPC117780
0.7131 Intermediate Similarity NPC151715
0.7131 Intermediate Similarity NPC76938
0.7123 Intermediate Similarity NPC471283
0.7123 Intermediate Similarity NPC193528
0.7123 Intermediate Similarity NPC197045
0.712 Intermediate Similarity NPC155847
0.712 Intermediate Similarity NPC289381
0.7115 Intermediate Similarity NPC469243
0.7114 Intermediate Similarity NPC470472
0.7113 Intermediate Similarity NPC474091
0.7105 Intermediate Similarity NPC471032
0.7105 Intermediate Similarity NPC470935
0.7101 Intermediate Similarity NPC471314
0.7101 Intermediate Similarity NPC471315
0.7099 Intermediate Similarity NPC163674
0.7092 Intermediate Similarity NPC191302

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC271808 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
0.904 High Similarity NPD5311 Approved
0.904 High Similarity NPD5310 Approved
0.8672 High Similarity NPD3053 Approved
0.8672 High Similarity NPD3055 Approved
0.8507 High Similarity NPD5314 Approved
0.8358 Intermediate Similarity NPD3059 Approved
0.8358 Intermediate Similarity NPD3062 Approved
0.8358 Intermediate Similarity NPD3061 Approved
0.8346 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.8145 Intermediate Similarity NPD9377 Approved
0.8145 Intermediate Similarity NPD9379 Approved
0.8045 Intermediate Similarity NPD7451 Discontinued
0.803 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.8015 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.781 Intermediate Similarity NPD597 Approved
0.781 Intermediate Similarity NPD598 Approved
0.781 Intermediate Similarity NPD601 Approved
0.7801 Intermediate Similarity NPD1632 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD9619 Approved
0.7778 Intermediate Similarity NPD9621 Approved
0.7778 Intermediate Similarity NPD9620 Approved
0.776 Intermediate Similarity NPD3022 Approved
0.776 Intermediate Similarity NPD3021 Approved
0.7754 Intermediate Similarity NPD1136 Approved
0.7754 Intermediate Similarity NPD1132 Approved
0.7754 Intermediate Similarity NPD1130 Approved
0.7714 Intermediate Similarity NPD823 Approved
0.7714 Intermediate Similarity NPD817 Approved
0.7652 Intermediate Similarity NPD9384 Approved
0.7652 Intermediate Similarity NPD9381 Approved
0.7639 Intermediate Similarity NPD3060 Approved
0.7612 Intermediate Similarity NPD2562 Approved
0.7612 Intermediate Similarity NPD2561 Approved
0.7603 Intermediate Similarity NPD3845 Phase 1
0.7603 Intermediate Similarity NPD2422 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD6346 Approved
0.75 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2674 Phase 3
0.75 Intermediate Similarity NPD6405 Approved
0.75 Intermediate Similarity NPD6407 Approved
0.7483 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD2568 Approved
0.7444 Intermediate Similarity NPD4093 Discontinued
0.7431 Intermediate Similarity NPD7450 Phase 2
0.7426 Intermediate Similarity NPD9622 Approved
0.7424 Intermediate Similarity NPD16 Approved
0.7424 Intermediate Similarity NPD856 Approved
0.7422 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD3555 Approved
0.7413 Intermediate Similarity NPD3552 Approved
0.7413 Intermediate Similarity NPD3554 Approved
0.7413 Intermediate Similarity NPD3553 Approved
0.7397 Intermediate Similarity NPD4162 Approved
0.7385 Intermediate Similarity NPD2228 Approved
0.7385 Intermediate Similarity NPD2234 Approved
0.7385 Intermediate Similarity NPD2229 Approved
0.7383 Intermediate Similarity NPD3985 Discontinued
0.7368 Intermediate Similarity NPD316 Approved
0.7351 Intermediate Similarity NPD1973 Approved
0.7351 Intermediate Similarity NPD1969 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD1972 Approved
0.7344 Intermediate Similarity NPD1792 Phase 2
0.7338 Intermediate Similarity NPD9569 Approved
0.7333 Intermediate Similarity NPD7303 Discontinued
0.7329 Intermediate Similarity NPD7153 Discontinued
0.7315 Intermediate Similarity NPD6087 Phase 1
0.7305 Intermediate Similarity NPD3145 Approved
0.7305 Intermediate Similarity NPD3144 Approved
0.7293 Intermediate Similarity NPD9615 Approved
0.7293 Intermediate Similarity NPD9613 Approved
0.7293 Intermediate Similarity NPD9616 Approved
0.726 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD1445 Approved
0.7244 Intermediate Similarity NPD1444 Approved
0.7234 Intermediate Similarity NPD3136 Phase 2
0.7226 Intermediate Similarity NPD2977 Approved
0.7226 Intermediate Similarity NPD2978 Approved
0.7222 Intermediate Similarity NPD9608 Approved
0.7222 Intermediate Similarity NPD9610 Approved
0.7219 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7206 Intermediate Similarity NPD3421 Phase 3
0.7188 Intermediate Similarity NPD4083 Discontinued
0.7164 Intermediate Similarity NPD318 Approved
0.7164 Intermediate Similarity NPD317 Approved
0.7153 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD3645 Discontinued
0.7133 Intermediate Similarity NPD1423 Approved
0.7133 Intermediate Similarity NPD259 Phase 1
0.7132 Intermediate Similarity NPD1751 Approved
0.7132 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD2933 Approved
0.7131 Intermediate Similarity NPD2934 Approved
0.7113 Intermediate Similarity NPD9537 Phase 1
0.7113 Intermediate Similarity NPD9536 Phase 1
0.7111 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD5304 Approved
0.7111 Intermediate Similarity NPD5303 Approved
0.7105 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD52 Approved
0.7105 Intermediate Similarity NPD7526 Approved
0.7083 Intermediate Similarity NPD1558 Phase 1
0.708 Intermediate Similarity NPD1983 Approved
0.708 Intermediate Similarity NPD1981 Approved
0.708 Intermediate Similarity NPD1980 Approved
0.7077 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2860 Approved
0.7073 Intermediate Similarity NPD2859 Approved
0.7067 Intermediate Similarity NPD302 Approved
0.7063 Intermediate Similarity NPD5718 Phase 2
0.7051 Intermediate Similarity NPD7495 Discontinued
0.7051 Intermediate Similarity NPD8019 Approved
0.7047 Intermediate Similarity NPD2209 Approved
0.7047 Intermediate Similarity NPD2211 Approved
0.7042 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.704 Intermediate Similarity NPD3020 Approved
0.7034 Intermediate Similarity NPD555 Phase 2
0.7027 Intermediate Similarity NPD7978 Discontinued
0.7021 Intermediate Similarity NPD257 Approved
0.7021 Intermediate Similarity NPD258 Approved
0.7 Intermediate Similarity NPD2922 Phase 1
0.6993 Remote Similarity NPD2372 Approved
0.6986 Remote Similarity NPD3052 Approved
0.6986 Remote Similarity NPD3054 Approved
0.698 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6975 Remote Similarity NPD5137 Approved
0.6974 Remote Similarity NPD2420 Approved
0.6974 Remote Similarity NPD2421 Approved
0.6957 Remote Similarity NPD2688 Clinical (unspecified phase)
0.695 Remote Similarity NPD1135 Approved
0.695 Remote Similarity NPD1131 Approved
0.695 Remote Similarity NPD1129 Approved
0.695 Remote Similarity NPD1133 Approved
0.695 Remote Similarity NPD1134 Approved
0.6948 Remote Similarity NPD7523 Phase 3
0.6943 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6943 Remote Similarity NPD5722 Discontinued
0.694 Remote Similarity NPD1791 Approved
0.694 Remote Similarity NPD9614 Approved
0.694 Remote Similarity NPD1793 Approved
0.694 Remote Similarity NPD9618 Approved
0.6939 Remote Similarity NPD6896 Approved
0.6939 Remote Similarity NPD6895 Approved
0.6933 Remote Similarity NPD2460 Phase 3
0.6933 Remote Similarity NPD2459 Approved
0.6933 Remote Similarity NPD2458 Approved
0.6929 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6929 Remote Similarity NPD4659 Approved
0.6929 Remote Similarity NPD1669 Approved
0.6928 Remote Similarity NPD4123 Phase 3
0.6901 Remote Similarity NPD2194 Approved
0.6901 Remote Similarity NPD2195 Approved
0.6901 Remote Similarity NPD859 Approved
0.6901 Remote Similarity NPD858 Approved
0.6901 Remote Similarity NPD599 Approved
0.6901 Remote Similarity NPD602 Approved
0.6899 Remote Similarity NPD5773 Approved
0.6899 Remote Similarity NPD5772 Approved
0.6897 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6331 Phase 2
0.6875 Remote Similarity NPD5163 Phase 2
0.6875 Remote Similarity NPD5156 Approved
0.6875 Remote Similarity NPD5155 Approved
0.6871 Remote Similarity NPD2653 Approved
0.6867 Remote Similarity NPD4256 Phase 2
0.6867 Remote Similarity NPD4257 Approved
0.6863 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6859 Remote Similarity NPD3455 Phase 2
0.6857 Remote Similarity NPD2231 Phase 2
0.6857 Remote Similarity NPD2235 Phase 2
0.6853 Remote Similarity NPD3635 Approved
0.6853 Remote Similarity NPD3637 Approved
0.6853 Remote Similarity NPD3636 Approved
0.6849 Remote Similarity NPD826 Approved
0.6849 Remote Similarity NPD825 Approved
0.6846 Remote Similarity NPD9570 Approved
0.6842 Remote Similarity NPD228 Approved
0.6842 Remote Similarity NPD8131 Suspended
0.6842 Remote Similarity NPD2677 Approved
0.6831 Remote Similarity NPD4103 Phase 2
0.6831 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6828 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6821 Remote Similarity NPD3638 Discontinued
0.6818 Remote Similarity NPD6419 Discontinued
0.6818 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6818 Remote Similarity NPD2874 Phase 2
0.6818 Remote Similarity NPD3536 Discontinued
0.6806 Remote Similarity NPD2606 Approved
0.6806 Remote Similarity NPD3594 Approved
0.6806 Remote Similarity NPD2605 Approved
0.6806 Remote Similarity NPD3595 Approved
0.6803 Remote Similarity NPD275 Approved
0.6803 Remote Similarity NPD274 Approved
0.6797 Remote Similarity NPD7554 Discontinued
0.6783 Remote Similarity NPD6584 Phase 3
0.6781 Remote Similarity NPD3531 Approved
0.6781 Remote Similarity NPD3530 Approved

Structure

External Identifiers

PubChem CID   5318865
ChEMBL   CHEMBL79129
ZINC  

Physicochemical Properties

Molecular Weight:  530.31
ALogP:  -4.1816
MLogP:  3.44
XLogP:  2.638
# Rotatable Bonds:  25
Polar Surface Area:  170.16
# H-Bond Aceptor:  6
# H-Bond Donor:  8
# Rings:  2
# Heavy Atoms:  38

Download Data

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Structure MOL file  
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Biological Activities  
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