Natural Product: NPC314512

Natural Product ID:  NPC314512
Common Name:   Kitasamycin
IUPAC Name:   [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Synonyms:   Acetylkitasamycin; Kitasamycin; Kitasamycin Tartrate
Molecular Formula:   C40H67NO14
Standard InCHIKey:  IEMDOFXTVAPVLX-YWQHLDGFSA-N
Standard InCHI:  InChI=1S/C40H67NO14/c1-22(2)18-30(45)53-38-26(6)51-32(21-40(38,7)48)54-35-25(5)52-39(34(47)33(35)41(8)9)55-36-27(16-17-42)19-23(3)28(43)15-13-11-12-14-24(4)50-31(46)20-29(44)37(36)49-10/h11-13,15,17,22-29,32-39,43-44,47-48H,14,16,18-21H2,1-10H3/b12-11+,15-13+/t23-,24-,25-,26+,27+,28+,29-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1
Canonical SMILES:  O=CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@@H](C)[C@@H]([C@](C1)(C)O)OC(=O)CC(C)C)OC)O)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
NPO19793 Streptomyces kitasatoensis Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT219 Individual Protein Alpha-1a adrenergic receptor Rattus norvegicus IC50 = 1544 nM DrugMatrix in vitro pharmacology data
NPT219 Individual Protein Alpha-1a adrenergic receptor Rattus norvegicus Ki = 625 nM DrugMatrix in vitro pharmacology data
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1.6 ug/ml 404425
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25 ug/ml 404425
NPT3145 Organism Bacillus subtilis subsp. spizizenii ATCC 6633 Bacillus subtilis subsp. spizizenii ATCC 6633 MIC = 0.4 ug/ml 404425
NPT3145 Organism Bacillus subtilis subsp. spizizenii ATCC 6633 Bacillus subtilis subsp. spizizenii ATCC 6633 MIC = 12.5 ug/ml 404425
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 25 ug/ml 404425
NPT173 Organism Klebsiella pneumoniae Klebsiella pneumoniae MIC = 100 ug/ml 404425
NPT2 Others Unspecified IC50 = 1000 nM 404425
NPT2 Others Unspecified IC50 = 7400 nM 404425

  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 NPC314512 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 NPC314451
1.0 High Similarity NPC313342
1.0 High Similarity NPC313333
0.9658 High Similarity NPC314282
0.9076 High Similarity NPC314629
0.9024 High Similarity NPC316401
0.9016 High Similarity NPC315387
0.9016 High Similarity NPC316205
0.8729 High Similarity NPC6531
0.8644 High Similarity NPC30196
0.8607 High Similarity NPC316133
0.8607 High Similarity NPC318445
0.843 Intermediate Similarity NPC67917
0.843 Intermediate Similarity NPC477515
0.843 Intermediate Similarity NPC313802
0.843 Intermediate Similarity NPC314268
0.839 Intermediate Similarity NPC1111
0.839 Intermediate Similarity NPC261750
0.8235 Intermediate Similarity NPC60432
0.816 Intermediate Similarity NPC315783
0.8087 Intermediate Similarity NPC227622
0.7667 Intermediate Similarity NPC137453
0.7556 Intermediate Similarity NPC99864
0.75 Intermediate Similarity NPC469869
0.7481 Intermediate Similarity NPC120420
0.7458 Intermediate Similarity NPC469871
0.7458 Intermediate Similarity NPC469870
0.7442 Intermediate Similarity NPC475383
0.7442 Intermediate Similarity NPC156379
0.7402 Intermediate Similarity NPC475642
0.7398 Intermediate Similarity NPC313668
0.7398 Intermediate Similarity NPC315836
0.7328 Intermediate Similarity NPC472198
0.7308 Intermediate Similarity NPC183353
0.7308 Intermediate Similarity NPC469812
0.7308 Intermediate Similarity NPC473228
0.7308 Intermediate Similarity NPC470829
0.7308 Intermediate Similarity NPC170880
0.7304 Intermediate Similarity NPC472197
0.7304 Intermediate Similarity NPC472199
0.7287 Intermediate Similarity NPC241050
0.7227 Intermediate Similarity NPC308567
0.7227 Intermediate Similarity NPC83895
0.7227 Intermediate Similarity NPC261377
0.7227 Intermediate Similarity NPC187761
0.7227 Intermediate Similarity NPC255592
0.7217 Intermediate Similarity NPC313670
0.7203 Intermediate Similarity NPC165332
0.7203 Intermediate Similarity NPC195645
0.7203 Intermediate Similarity NPC180722
0.7153 Intermediate Similarity NPC314361
0.7143 Intermediate Similarity NPC29501
0.7143 Intermediate Similarity NPC40812
0.7111 Intermediate Similarity NPC329919
0.7111 Intermediate Similarity NPC477793
0.7101 Intermediate Similarity NPC78189
0.7099 Intermediate Similarity NPC314482
0.7094 Intermediate Similarity NPC478036
0.7094 Intermediate Similarity NPC478037
0.7077 Intermediate Similarity NPC13710
0.7045 Intermediate Similarity NPC23963
0.704 Intermediate Similarity NPC473807
0.704 Intermediate Similarity NPC193765
0.7034 Intermediate Similarity NPC5418
0.7016 Intermediate Similarity NPC476738
0.7016 Intermediate Similarity NPC478038
0.7016 Intermediate Similarity NPC476740
0.7016 Intermediate Similarity NPC201128
0.7015 Intermediate Similarity NPC469494
0.7008 Intermediate Similarity NPC21713
0.7008 Intermediate Similarity NPC475608
0.7 Intermediate Similarity NPC145899
0.7 Intermediate Similarity NPC472430
0.6992 Remote Similarity NPC309398
0.6957 Remote Similarity NPC86005
0.6957 Remote Similarity NPC477959
0.6953 Remote Similarity NPC174836
0.6949 Remote Similarity NPC320089
0.6947 Remote Similarity NPC475309
0.6929 Remote Similarity NPC75318
0.6929 Remote Similarity NPC472428
0.6911 Remote Similarity NPC477198
0.6911 Remote Similarity NPC313569
0.6905 Remote Similarity NPC475150
0.6901 Remote Similarity NPC243680
0.6901 Remote Similarity NPC200788
0.6891 Remote Similarity NPC71589
0.688 Remote Similarity NPC475918
0.6875 Remote Similarity NPC297945
0.6875 Remote Similarity NPC126897
0.6857 Remote Similarity NPC76999
0.6855 Remote Similarity NPC473816
0.6855 Remote Similarity NPC475367
0.6855 Remote Similarity NPC474581
0.6846 Remote Similarity NPC181145
0.6842 Remote Similarity NPC48692
0.6831 Remote Similarity NPC230889
0.6822 Remote Similarity NPC469865
0.6821 Remote Similarity NPC187497
0.6821 Remote Similarity NPC475599
0.6821 Remote Similarity NPC113620
0.6821 Remote Similarity NPC100612
0.6821 Remote Similarity NPC174336
0.6818 Remote Similarity NPC201889
0.6818 Remote Similarity NPC106791
0.6806 Remote Similarity NPC82931
0.6806 Remote Similarity NPC172365
0.6806 Remote Similarity NPC210729
0.6803 Remote Similarity NPC316249
0.68 Remote Similarity NPC231271
0.68 Remote Similarity NPC470519
0.6797 Remote Similarity NPC46407
0.6797 Remote Similarity NPC83005
0.6791 Remote Similarity NPC469515
0.6786 Remote Similarity NPC73829
0.6786 Remote Similarity NPC119794
0.6781 Remote Similarity NPC475892
0.6777 Remote Similarity NPC45313
0.6777 Remote Similarity NPC197294
0.6777 Remote Similarity NPC183449
0.6777 Remote Similarity NPC8098
0.6774 Remote Similarity NPC473596
0.6772 Remote Similarity NPC475960
0.6769 Remote Similarity NPC75167
0.6769 Remote Similarity NPC311592
0.6755 Remote Similarity NPC475527
0.6755 Remote Similarity NPC265699
0.6754 Remote Similarity NPC156089
0.6754 Remote Similarity NPC473500
0.6754 Remote Similarity NPC470313
0.6754 Remote Similarity NPC38295
0.6752 Remote Similarity NPC137368
0.675 Remote Similarity NPC156782
0.675 Remote Similarity NPC157353
0.675 Remote Similarity NPC54961
0.675 Remote Similarity NPC158445
0.675 Remote Similarity NPC282088
0.6748 Remote Similarity NPC324667
0.6746 Remote Similarity NPC315070
0.6741 Remote Similarity NPC275343
0.6723 Remote Similarity NPC470379
0.6723 Remote Similarity NPC470373
0.6721 Remote Similarity NPC472290
0.6719 Remote Similarity NPC133625
0.6716 Remote Similarity NPC477140
0.6716 Remote Similarity NPC477143
0.6714 Remote Similarity NPC475472
0.6712 Remote Similarity NPC475152
0.6712 Remote Similarity NPC475584
0.6712 Remote Similarity NPC475394
0.6694 Remote Similarity NPC475655
0.6694 Remote Similarity NPC36954
0.6694 Remote Similarity NPC476611
0.6694 Remote Similarity NPC475157
0.6694 Remote Similarity NPC471637
0.6694 Remote Similarity NPC57586
0.6694 Remote Similarity NPC154132
0.6694 Remote Similarity NPC154127
0.6694 Remote Similarity NPC2313
0.6692 Remote Similarity NPC234522
0.669 Remote Similarity NPC235772
0.669 Remote Similarity NPC280941
0.6667 Remote Similarity NPC242840
0.6667 Remote Similarity NPC75417
0.6667 Remote Similarity NPC472195
0.6667 Remote Similarity NPC203627
0.6667 Remote Similarity NPC204556
0.6667 Remote Similarity NPC472196
0.6667 Remote Similarity NPC74035
0.6667 Remote Similarity NPC31193
0.6667 Remote Similarity NPC470104
0.6667 Remote Similarity NPC238090
0.6642 Remote Similarity NPC204639
0.664 Remote Similarity NPC195510
0.664 Remote Similarity NPC13171
0.664 Remote Similarity NPC223834
0.6639 Remote Similarity NPC209047
0.6639 Remote Similarity NPC74672
0.6639 Remote Similarity NPC139782
0.6639 Remote Similarity NPC54731
0.6639 Remote Similarity NPC242503
0.6639 Remote Similarity NPC43074
0.662 Remote Similarity NPC477072
0.6618 Remote Similarity NPC473231
0.6618 Remote Similarity NPC273185
0.6617 Remote Similarity NPC23046
0.6615 Remote Similarity NPC316984
0.6615 Remote Similarity NPC30911
0.6614 Remote Similarity NPC472751
0.6614 Remote Similarity NPC472749
0.6612 Remote Similarity NPC70323
0.6612 Remote Similarity NPC17290
0.6612 Remote Similarity NPC256570
0.6612 Remote Similarity NPC23454
0.6612 Remote Similarity NPC35269
0.6612 Remote Similarity NPC192066
0.6612 Remote Similarity NPC262312
0.6612 Remote Similarity NPC159698
0.6612 Remote Similarity NPC3568
0.6596 Remote Similarity NPC139585

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314512 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
1.0 High Similarity NPD8342 Approved
1.0 High Similarity NPD8299 Approved
1.0 High Similarity NPD8341 Approved
1.0 High Similarity NPD8340 Approved
0.9741 High Similarity NPD8451 Approved
0.9658 High Similarity NPD8448 Approved
0.9417 High Similarity NPD8390 Approved
0.9417 High Similarity NPD8391 Approved
0.9417 High Similarity NPD8392 Approved
0.8655 High Similarity NPD7641 Discontinued
0.8607 High Similarity NPD7642 Approved
0.8417 Intermediate Similarity NPD8137 Clinical (unspecified phase)
0.8174 Intermediate Similarity NPD8275 Approved
0.8174 Intermediate Similarity NPD8276 Approved
0.816 Intermediate Similarity NPD7829 Approved
0.816 Intermediate Similarity NPD7830 Approved
0.8145 Intermediate Similarity NPD8274 Clinical (unspecified phase)
0.8087 Intermediate Similarity NPD8085 Approved
0.8087 Intermediate Similarity NPD8083 Approved
0.8087 Intermediate Similarity NPD8084 Approved
0.8087 Intermediate Similarity NPD8138 Approved
0.8087 Intermediate Similarity NPD8139 Approved
0.8087 Intermediate Similarity NPD8086 Approved
0.8087 Intermediate Similarity NPD8082 Approved
0.808 Intermediate Similarity NPD8080 Discontinued
0.8034 Intermediate Similarity NPD8393 Approved
0.8 Intermediate Similarity NPD8444 Approved
0.7949 Intermediate Similarity NPD8081 Approved
0.7667 Intermediate Similarity NPD8140 Approved
0.7667 Intermediate Similarity NPD8307 Discontinued
0.763 Intermediate Similarity NPD8387 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD8415 Approved
0.7541 Intermediate Similarity NPD8305 Approved
0.7541 Intermediate Similarity NPD8306 Approved
0.7481 Intermediate Similarity NPD8273 Phase 1
0.748 Intermediate Similarity NPD8087 Discontinued
0.7333 Intermediate Similarity NPD8300 Approved
0.7333 Intermediate Similarity NPD8301 Approved
0.7308 Intermediate Similarity NPD8517 Approved
0.7308 Intermediate Similarity NPD8515 Approved
0.7308 Intermediate Similarity NPD8513 Phase 3
0.7308 Intermediate Similarity NPD8516 Approved
0.7304 Intermediate Similarity NPD7983 Approved
0.7293 Intermediate Similarity NPD8074 Phase 3
0.7203 Intermediate Similarity NPD7839 Suspended
0.7111 Intermediate Similarity NPD8337 Approved
0.7111 Intermediate Similarity NPD8336 Approved
0.7099 Intermediate Similarity NPD8346 Approved
0.7099 Intermediate Similarity NPD8345 Approved
0.7099 Intermediate Similarity NPD8347 Approved
0.6993 Remote Similarity NPD8384 Approved
0.6942 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6906 Remote Similarity NPD8338 Approved
0.6875 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6797 Remote Similarity NPD6421 Discontinued
0.6667 Remote Similarity NPD5779 Approved
0.6667 Remote Similarity NPD5778 Approved
0.6667 Remote Similarity NPD6921 Approved
0.6639 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6615 Remote Similarity NPD2204 Approved
0.6533 Remote Similarity NPD2575 Approved
0.6449 Remote Similarity NPD7122 Discontinued
0.6439 Remote Similarity NPD6430 Approved
0.6439 Remote Similarity NPD6429 Approved
0.6423 Remote Similarity NPD8269 Approved
0.6423 Remote Similarity NPD8266 Approved
0.6423 Remote Similarity NPD8268 Approved
0.6423 Remote Similarity NPD8267 Approved
0.641 Remote Similarity NPD8414 Discontinued
0.6385 Remote Similarity NPD6686 Approved
0.637 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6698 Approved
0.6364 Remote Similarity NPD46 Approved
0.6338 Remote Similarity NPD7319 Approved
0.6331 Remote Similarity NPD8328 Phase 3
0.6319 Remote Similarity NPD2613 Approved
0.6301 Remote Similarity NPD4746 Phase 3
0.6301 Remote Similarity NPD3087 Approved
0.6301 Remote Similarity NPD3089 Approved
0.6301 Remote Similarity NPD3090 Approved
0.6301 Remote Similarity NPD3616 Approved
0.6301 Remote Similarity NPD2570 Approved
0.6301 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6301 Remote Similarity NPD4745 Approved
0.6301 Remote Similarity NPD2573 Approved
0.6301 Remote Similarity NPD3088 Approved
0.6301 Remote Similarity NPD2571 Approved
0.6301 Remote Similarity NPD3615 Approved
0.6301 Remote Similarity NPD2566 Approved
0.6301 Remote Similarity NPD2574 Discontinued
0.6301 Remote Similarity NPD3614 Approved
0.6294 Remote Similarity NPD6914 Discontinued
0.6281 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6281 Remote Similarity NPD6101 Approved
0.625 Remote Similarity NPD7260 Phase 2
0.6241 Remote Similarity NPD7507 Approved
0.623 Remote Similarity NPD7838 Discovery
0.6216 Remote Similarity NPD4685 Phase 3
0.6216 Remote Similarity NPD4684 Phase 3
0.6216 Remote Similarity NPD4686 Approved
0.6179 Remote Similarity NPD6411 Approved
0.6149 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6131 Remote Similarity NPD7500 Approved
0.612 Remote Similarity NPD8319 Approved
0.612 Remote Similarity NPD8320 Phase 1
0.6096 Remote Similarity NPD6845 Suspended
0.6061 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6 Remote Similarity NPD1447 Phase 3
0.6 Remote Similarity NPD1446 Phase 3
0.5984 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5972 Remote Similarity NPD7747 Phase 1
0.5972 Remote Similarity NPD7746 Phase 1
0.597 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5954 Remote Similarity NPD1407 Approved
0.5926 Remote Similarity NPD6371 Approved
0.5915 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5915 Remote Similarity NPD7623 Phase 3
0.5912 Remote Similarity NPD8133 Approved
0.5902 Remote Similarity NPD5786 Approved
0.5896 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5891 Remote Similarity NPD2255 Approved
0.5882 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5878 Remote Similarity NPD7141 Clinical (unspecified phase)
0.5878 Remote Similarity NPD5202 Clinical (unspecified phase)
0.5878 Remote Similarity NPD7139 Approved
0.5878 Remote Similarity NPD7140 Approved
0.5864 Remote Similarity NPD8417 Discontinued
0.5852 Remote Similarity NPD6941 Approved
0.5833 Remote Similarity NPD2611 Approved
0.5833 Remote Similarity NPD4806 Approved
0.5833 Remote Similarity NPD2612 Approved
0.5833 Remote Similarity NPD4217 Approved
0.5833 Remote Similarity NPD4216 Approved
0.5833 Remote Similarity NPD4215 Approved
0.5833 Remote Similarity NPD4218 Approved
0.5833 Remote Similarity NPD7345 Approved
0.5833 Remote Similarity NPD4807 Approved
0.5833 Remote Similarity NPD2610 Approved
0.5833 Remote Similarity NPD2608 Approved
0.5833 Remote Similarity NPD3132 Approved
0.5833 Remote Similarity NPD2609 Approved
0.5833 Remote Similarity NPD3131 Approved
0.5828 Remote Similarity NPD5119 Approved
0.5828 Remote Similarity NPD5121 Approved
0.5828 Remote Similarity NPD5120 Approved
0.5822 Remote Similarity NPD7736 Approved
0.5821 Remote Similarity NPD6412 Phase 2
0.5814 Remote Similarity NPD8470 Clinical (unspecified phase)
0.5811 Remote Similarity NPD3664 Approved
0.5811 Remote Similarity NPD3662 Phase 3
0.5811 Remote Similarity NPD3663 Approved
0.5811 Remote Similarity NPD3661 Approved
0.5811 Remote Similarity NPD5204 Approved
0.5809 Remote Similarity NPD6420 Discontinued
0.5805 Remote Similarity NPD8368 Discontinued
0.5797 Remote Similarity NPD3731 Phase 3
0.5795 Remote Similarity NPD8407 Phase 2
0.5794 Remote Similarity NPD7637 Suspended
0.5782 Remote Similarity NPD2628 Approved
0.5782 Remote Similarity NPD2160 Approved
0.5782 Remote Similarity NPD2627 Approved
0.5782 Remote Similarity NPD2625 Approved
0.5782 Remote Similarity NPD2626 Approved
0.5782 Remote Similarity NPD2159 Approved
0.5772 Remote Similarity NPD5201 Approved
0.5772 Remote Similarity NPD5203 Approved
0.5772 Remote Similarity NPD4620 Approved
0.5772 Remote Similarity NPD4617 Approved
0.5767 Remote Similarity NPD7701 Phase 2
0.5766 Remote Similarity NPD1719 Phase 1
0.5753 Remote Similarity NPD8293 Discontinued
0.5746 Remote Similarity NPD7333 Discontinued
0.5735 Remote Similarity NPD6413 Approved
0.5734 Remote Similarity NPD6909 Approved
0.5734 Remote Similarity NPD7503 Approved
0.5734 Remote Similarity NPD6908 Approved
0.5734 Remote Similarity NPD8033 Approved
0.5734 Remote Similarity NPD7739 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4832 Approved
0.5714 Remote Similarity NPD4831 Approved
0.5714 Remote Similarity NPD4830 Approved
0.5704 Remote Similarity NPD7517 Approved
0.5704 Remote Similarity NPD7518 Approved
0.5704 Remote Similarity NPD7519 Approved
0.5702 Remote Similarity NPD4269 Approved
0.5702 Remote Similarity NPD4270 Approved
0.5695 Remote Similarity NPD4619 Approved
0.5695 Remote Similarity NPD4621 Approved
0.5694 Remote Similarity NPD6370 Approved
0.5683 Remote Similarity NPD1376 Discontinued
0.5674 Remote Similarity NPD7505 Discontinued
0.5667 Remote Similarity NPD8360 Approved
0.5667 Remote Similarity NPD8361 Approved
0.5667 Remote Similarity NPD8449 Approved
0.5664 Remote Similarity NPD8294 Approved
0.5664 Remote Similarity NPD8377 Approved
0.5656 Remote Similarity NPD7154 Phase 3
0.5655 Remote Similarity NPD4135 Approved
0.5655 Remote Similarity NPD4136 Approved

Structure

External Identifiers

PubChem CID   5282322
ChEMBL   CHEMBL2106399
ZINC  

Physicochemical Properties

Molecular Weight:  785.46
ALogP:  -1.1775
MLogP:  4.21
XLogP:  2.211
# Rotatable Bonds:  26
Polar Surface Area:  199.98
# H-Bond Aceptor:  15
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  55

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs