Natural Product: NPC96916

Natural Product ID:  NPC96916
Common Name:   Arjunic Acid
IUPAC Name:   (1S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:   Arjunic Acid
Molecular Formula:   C30H48O5
Standard InCHIKey:  XJMYUPJDAFKICJ-YZTGESMESA-N
Standard InCHI:  InChI=1S/C30H48O5/c1-25(2)12-14-30(24(34)35)15-13-28(6)17(21(30)23(25)33)8-9-20-27(5)16-18(31)22(32)26(3,4)19(27)10-11-29(20,28)7/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19+,20-,21-,22+,23+,27+,28-,29-,30+/m1/s1
Canonical SMILES:  O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@H](O)C(C)(C)CC1)C(=O)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
NPO20615 Osmites hirsuta NA NA NA UNPD*
NPO12448 Simplicillium lamellicola Species Cordycipitaceae Eukaryota UNPD*
NPO30384 Combretum quadrangulare Species Combretaceae Eukaryota Seeds PMID[11277757]
NPO3613 Eriobotrya deflexa Species Rosaceae Eukaryota PMID[11473413]
NPO18112 Melochia chamaedrys Species Malvaceae Eukaryota UNPD*
NPO19499 Plocamium corallorhiza Species Plocamiaceae Eukaryota UNPD*
NPO22468 Parazoanthus gracilis Species Parazoanthidae Eukaryota UNPD*
NPO19988 Vinca herbacea Species Apocynaceae Eukaryota UNPD*
NPO18280 Colubrina retusa Species Rhamnaceae Eukaryota UNPD*
NPO20217 Vernonanthura squamulosa Species Asteraceae Eukaryota UNPD*
NPO20550 Helenium argentinum Species Asteraceae Eukaryota UNPD*
NPO13314 Callitropsis funebris Species Cupressaceae Eukaryota UNPD*
NPO18639 Breynia vitis-idaea Species Phyllanthaceae Eukaryota UNPD*
NPO20674 Pseudopterogorgia rigida Species Gorgoniidae Eukaryota UNPD*
NPO29628 Rubi fructus NA NA NA TCMSP*
NPO22699 Echinops setifer Species Asteraceae Eukaryota TM-MC*
NPO4163 Echinopsis latifolius Species Cactaceae Eukaryota TM-MC*
NPO25618 Eriobotrya japonica Species Rosaceae Eukaryota TM-MC*
NPO28696 Rhaponticum uniflorum Species Asteraceae Eukaryota TM-MC*
NPO26422 Rubus chingii Species Rosaceae Eukaryota TM-MC*
NPO18930 Rubus coreanus Species Rosaceae Eukaryota TM-MC*
NPO3613 Eriobotrya deflexa Species Rosaceae Eukaryota TCMID*
NPO11213 Terminalia arjuna Species Combretaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT993 Cell Line Hepatocyte Mus musculus Activity = 27.8 % 11277757
NPT993 Cell Line Hepatocyte Mus musculus Activity = 26.6 % 11277757
NPT993 Cell Line Hepatocyte Mus musculus Activity = 26.5 % 11277757
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 32.9 % 11277757
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 27 % 11277757
NPT993 Cell Line Hepatocyte Mus musculus Inhibition = 26.7 % 11277757

  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 NPC96916 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
0.9888 High Similarity NPC73004
0.9888 High Similarity NPC158371
0.9888 High Similarity NPC259733
0.9888 High Similarity NPC207922
0.9888 High Similarity NPC204961
0.9888 High Similarity NPC173744
0.9778 High Similarity NPC247139
0.9778 High Similarity NPC255589
0.9778 High Similarity NPC259788
0.9778 High Similarity NPC43686
0.9778 High Similarity NPC9613
0.967 High Similarity NPC271614
0.967 High Similarity NPC111214
0.967 High Similarity NPC29765
0.9663 High Similarity NPC263548
0.9663 High Similarity NPC20235
0.9663 High Similarity NPC231063
0.9663 High Similarity NPC145667
0.9663 High Similarity NPC299996
0.9663 High Similarity NPC282395
0.9663 High Similarity NPC32407
0.9663 High Similarity NPC88116
0.9659 High Similarity NPC52021
0.9659 High Similarity NPC300351
0.9659 High Similarity NPC71074
0.9659 High Similarity NPC235884
0.9659 High Similarity NPC187722
0.9659 High Similarity NPC25299
0.9659 High Similarity NPC472149
0.9659 High Similarity NPC306541
0.9659 High Similarity NPC84319
0.9565 High Similarity NPC35239
0.956 High Similarity NPC106112
0.956 High Similarity NPC261935
0.9556 High Similarity NPC32118
0.9551 High Similarity NPC74855
0.9551 High Similarity NPC158059
0.9551 High Similarity NPC307335
0.9551 High Similarity NPC275809
0.9551 High Similarity NPC229281
0.9551 High Similarity NPC136313
0.9551 High Similarity NPC474806
0.9551 High Similarity NPC118519
0.9551 High Similarity NPC133579
0.9551 High Similarity NPC202728
0.9545 High Similarity NPC477872
0.9545 High Similarity NPC7260
0.9545 High Similarity NPC120968
0.9545 High Similarity NPC227467
0.9545 High Similarity NPC273621
0.9545 High Similarity NPC18872
0.9545 High Similarity NPC49320
0.9545 High Similarity NPC210037
0.9545 High Similarity NPC290614
0.9462 High Similarity NPC54909
0.9462 High Similarity NPC233012
0.9462 High Similarity NPC256247
0.9451 High Similarity NPC201657
0.9451 High Similarity NPC25848
0.9451 High Similarity NPC19376
0.9451 High Similarity NPC307282
0.9451 High Similarity NPC305464
0.9444 High Similarity NPC114159
0.9444 High Similarity NPC87095
0.9444 High Similarity NPC191412
0.9444 High Similarity NPC6818
0.9438 High Similarity NPC38754
0.9438 High Similarity NPC105189
0.9432 High Similarity NPC64872
0.9432 High Similarity NPC274330
0.9432 High Similarity NPC25906
0.9432 High Similarity NPC198664
0.9432 High Similarity NPC143232
0.9432 High Similarity NPC290972
0.9348 High Similarity NPC203343
0.9348 High Similarity NPC312075
0.9341 High Similarity NPC198245
0.9326 High Similarity NPC470589
0.9326 High Similarity NPC130278
0.9326 High Similarity NPC111110
0.9326 High Similarity NPC291028
0.9326 High Similarity NPC126369
0.9326 High Similarity NPC193750
0.9318 High Similarity NPC290690
0.9318 High Similarity NPC474512
0.9318 High Similarity NPC182797
0.9318 High Similarity NPC473242
0.9318 High Similarity NPC17733
0.9318 High Similarity NPC52169
0.9318 High Similarity NPC181225
0.9318 High Similarity NPC470629
0.9247 High Similarity NPC188833
0.9239 High Similarity NPC230151
0.9239 High Similarity NPC327179
0.9239 High Similarity NPC62516
0.9239 High Similarity NPC132824
0.9239 High Similarity NPC88847
0.9239 High Similarity NPC157113
0.9239 High Similarity NPC116457
0.9231 High Similarity NPC188102
0.9213 High Similarity NPC130520
0.9213 High Similarity NPC121798
0.9213 High Similarity NPC61543
0.9213 High Similarity NPC270768
0.9213 High Similarity NPC59263
0.9213 High Similarity NPC225585
0.9213 High Similarity NPC234346
0.9213 High Similarity NPC470588
0.9213 High Similarity NPC263393
0.9213 High Similarity NPC127689
0.9213 High Similarity NPC293048
0.9205 High Similarity NPC88716
0.9205 High Similarity NPC477926
0.9205 High Similarity NPC18064
0.9205 High Similarity NPC102683
0.9205 High Similarity NPC68160
0.9205 High Similarity NPC51700
0.9205 High Similarity NPC307426
0.9205 High Similarity NPC142415
0.9205 High Similarity NPC130577
0.9205 High Similarity NPC242468
0.9205 High Similarity NPC293564
0.9205 High Similarity NPC98442
0.9205 High Similarity NPC171203
0.9167 High Similarity NPC284865
0.914 High Similarity NPC187933
0.913 High Similarity NPC473240
0.913 High Similarity NPC53565
0.9121 High Similarity NPC118490
0.9111 High Similarity NPC474728
0.9101 High Similarity NPC246708
0.9101 High Similarity NPC40552
0.9091 High Similarity NPC72638
0.9043 High Similarity NPC174663
0.9032 High Similarity NPC476327
0.9032 High Similarity NPC476318
0.9022 High Similarity NPC148964
0.9022 High Similarity NPC60692
0.9022 High Similarity NPC159365
0.9022 High Similarity NPC209868
0.9022 High Similarity NPC296164
0.9011 High Similarity NPC282616
0.9011 High Similarity NPC285184
0.9011 High Similarity NPC288833
0.9011 High Similarity NPC77099
0.9011 High Similarity NPC155120
0.9011 High Similarity NPC145067
0.9011 High Similarity NPC4036
0.9011 High Similarity NPC474525
0.9011 High Similarity NPC60755
0.9011 High Similarity NPC470590
0.9011 High Similarity NPC233455
0.9011 High Similarity NPC324341
0.9011 High Similarity NPC158030
0.9011 High Similarity NPC966
0.9011 High Similarity NPC228784
0.9011 High Similarity NPC65120
0.9 High Similarity NPC474972
0.9 High Similarity NPC474686
0.9 High Similarity NPC161751
0.9 High Similarity NPC95246
0.8989 High Similarity NPC73064
0.8989 High Similarity NPC71507
0.8936 High Similarity NPC189880
0.8925 High Similarity NPC290481
0.8925 High Similarity NPC139570
0.8925 High Similarity NPC83693
0.8913 High Similarity NPC295643
0.8913 High Similarity NPC474436
0.8913 High Similarity NPC272075
0.8913 High Similarity NPC214756
0.8913 High Similarity NPC49776
0.8913 High Similarity NPC86368
0.8913 High Similarity NPC63118
0.8913 High Similarity NPC298554
0.8901 High Similarity NPC46441
0.8901 High Similarity NPC172361
0.8901 High Similarity NPC86372
0.8901 High Similarity NPC113989
0.8901 High Similarity NPC120840
0.8876 High Similarity NPC74363
0.8876 High Similarity NPC475862
0.8854 High Similarity NPC118964
0.8842 High Similarity NPC164349
0.8842 High Similarity NPC260149
0.8842 High Similarity NPC58942
0.8817 High Similarity NPC222047
0.8817 High Similarity NPC91010
0.8817 High Similarity NPC474529
0.8817 High Similarity NPC80365
0.8804 High Similarity NPC301244
0.8804 High Similarity NPC471588
0.8804 High Similarity NPC235704
0.8804 High Similarity NPC475708
0.8804 High Similarity NPC189520
0.8804 High Similarity NPC6255
0.8791 High Similarity NPC30522
0.8788 High Similarity NPC301666
0.8764 High Similarity NPC133954
0.875 High Similarity NPC476195

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96916 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
0.9011 High Similarity NPD7515 Phase 2
0.8737 High Similarity NPD7902 Approved
0.8617 High Similarity NPD7748 Approved
0.8421 Intermediate Similarity NPD7900 Approved
0.8421 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8152 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD6399 Phase 3
0.8021 Intermediate Similarity NPD8035 Phase 2
0.8021 Intermediate Similarity NPD8034 Phase 2
0.7889 Intermediate Similarity NPD7645 Phase 2
0.7872 Intermediate Similarity NPD3618 Phase 1
0.7849 Intermediate Similarity NPD4786 Approved
0.7826 Intermediate Similarity NPD3667 Approved
0.7736 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7629 Intermediate Similarity NPD5328 Approved
0.7629 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7478 Intermediate Similarity NPD8328 Phase 3
0.7475 Intermediate Similarity NPD6079 Approved
0.7453 Intermediate Similarity NPD6675 Approved
0.7453 Intermediate Similarity NPD5739 Approved
0.7453 Intermediate Similarity NPD7128 Approved
0.7453 Intermediate Similarity NPD6402 Approved
0.7419 Intermediate Similarity NPD7525 Registered
0.7411 Intermediate Similarity NPD7115 Discovery
0.7407 Intermediate Similarity NPD6373 Approved
0.7407 Intermediate Similarity NPD6372 Approved
0.74 Intermediate Similarity NPD4202 Approved
0.7379 Intermediate Similarity NPD7638 Approved
0.7353 Intermediate Similarity NPD4697 Phase 3
0.7347 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD7320 Approved
0.7315 Intermediate Similarity NPD6899 Approved
0.7315 Intermediate Similarity NPD6881 Approved
0.7308 Intermediate Similarity NPD7640 Approved
0.7308 Intermediate Similarity NPD7639 Approved
0.73 Intermediate Similarity NPD6411 Approved
0.7292 Intermediate Similarity NPD3133 Approved
0.7292 Intermediate Similarity NPD3666 Approved
0.7292 Intermediate Similarity NPD3668 Phase 3
0.7292 Intermediate Similarity NPD3665 Phase 1
0.7283 Intermediate Similarity NPD6116 Phase 1
0.7282 Intermediate Similarity NPD4755 Approved
0.7273 Intermediate Similarity NPD6650 Approved
0.7273 Intermediate Similarity NPD6649 Approved
0.7222 Intermediate Similarity NPD5701 Approved
0.7222 Intermediate Similarity NPD5697 Approved
0.7212 Intermediate Similarity NPD4225 Approved
0.7207 Intermediate Similarity NPD8297 Approved
0.7184 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD5221 Approved
0.7184 Intermediate Similarity NPD5222 Approved
0.7182 Intermediate Similarity NPD7290 Approved
0.7182 Intermediate Similarity NPD6883 Approved
0.7182 Intermediate Similarity NPD7102 Approved
0.7174 Intermediate Similarity NPD6117 Approved
0.7156 Intermediate Similarity NPD6011 Approved
0.7143 Intermediate Similarity NPD7521 Approved
0.7143 Intermediate Similarity NPD7334 Approved
0.7143 Intermediate Similarity NPD6684 Approved
0.7143 Intermediate Similarity NPD7146 Approved
0.7143 Intermediate Similarity NPD6409 Approved
0.7143 Intermediate Similarity NPD4700 Approved
0.7143 Intermediate Similarity NPD5286 Approved
0.7143 Intermediate Similarity NPD4696 Approved
0.7143 Intermediate Similarity NPD5330 Approved
0.7143 Intermediate Similarity NPD4632 Approved
0.7143 Intermediate Similarity NPD5285 Approved
0.7117 Intermediate Similarity NPD6847 Approved
0.7117 Intermediate Similarity NPD8130 Phase 1
0.7117 Intermediate Similarity NPD6617 Approved
0.7117 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6869 Approved
0.7115 Intermediate Similarity NPD5173 Approved
0.7115 Intermediate Similarity NPD6083 Phase 2
0.7115 Intermediate Similarity NPD6084 Phase 2
0.71 Intermediate Similarity NPD6101 Approved
0.71 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6013 Approved
0.7091 Intermediate Similarity NPD6012 Approved
0.7091 Intermediate Similarity NPD6014 Approved
0.7091 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD5223 Approved
0.7071 Intermediate Similarity NPD3573 Approved
0.7065 Intermediate Similarity NPD6942 Approved
0.7065 Intermediate Similarity NPD7339 Approved
0.7064 Intermediate Similarity NPD6412 Phase 2
0.7054 Intermediate Similarity NPD6882 Approved
0.7053 Intermediate Similarity NPD4695 Discontinued
0.7021 Intermediate Similarity NPD6115 Approved
0.7021 Intermediate Similarity NPD6114 Approved
0.7021 Intermediate Similarity NPD6697 Approved
0.7021 Intermediate Similarity NPD6118 Approved
0.7019 Intermediate Similarity NPD7614 Phase 1
0.7009 Intermediate Similarity NPD5226 Approved
0.7009 Intermediate Similarity NPD4633 Approved
0.7009 Intermediate Similarity NPD5225 Approved
0.7009 Intermediate Similarity NPD5211 Phase 2
0.7009 Intermediate Similarity NPD5224 Approved
0.7 Intermediate Similarity NPD5737 Approved
0.7 Intermediate Similarity NPD6903 Approved
0.7 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6672 Approved
0.6989 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6008 Approved
0.697 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6961 Remote Similarity NPD5281 Approved
0.6961 Remote Similarity NPD5284 Approved
0.6957 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6944 Remote Similarity NPD5174 Approved
0.6944 Remote Similarity NPD4754 Approved
0.6944 Remote Similarity NPD5175 Approved
0.6931 Remote Similarity NPD4753 Phase 2
0.6923 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6887 Remote Similarity NPD5696 Approved
0.6881 Remote Similarity NPD5141 Approved
0.6875 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4634 Approved
0.6847 Remote Similarity NPD6686 Approved
0.6842 Remote Similarity NPD8133 Approved
0.6818 Remote Similarity NPD4767 Approved
0.6818 Remote Similarity NPD4768 Approved
0.681 Remote Similarity NPD6009 Approved
0.68 Remote Similarity NPD5279 Phase 3
0.678 Remote Similarity NPD6319 Approved
0.6777 Remote Similarity NPD7507 Approved
0.6762 Remote Similarity NPD5210 Approved
0.6762 Remote Similarity NPD4629 Approved
0.6762 Remote Similarity NPD5695 Phase 3
0.6752 Remote Similarity NPD6335 Approved
0.6735 Remote Similarity NPD4221 Approved
0.6735 Remote Similarity NPD4223 Phase 3
0.6731 Remote Similarity NPD5778 Approved
0.6731 Remote Similarity NPD5779 Approved
0.6724 Remote Similarity NPD6274 Approved
0.6724 Remote Similarity NPD6868 Approved
0.67 Remote Similarity NPD5329 Approved
0.6698 Remote Similarity NPD7732 Phase 3
0.6697 Remote Similarity NPD7632 Discontinued
0.6696 Remote Similarity NPD4730 Approved
0.6696 Remote Similarity NPD4729 Approved
0.6696 Remote Similarity NPD5128 Approved
0.6695 Remote Similarity NPD7100 Approved
0.6695 Remote Similarity NPD7101 Approved
0.6667 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD7736 Approved
0.6634 Remote Similarity NPD6098 Approved
0.6632 Remote Similarity NPD6933 Approved
0.6613 Remote Similarity NPD7319 Approved
0.6612 Remote Similarity NPD7604 Phase 2
0.661 Remote Similarity NPD6313 Approved
0.661 Remote Similarity NPD6314 Approved
0.6607 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6904 Approved
0.6602 Remote Similarity NPD6673 Approved
0.6602 Remote Similarity NPD6080 Approved
0.66 Remote Similarity NPD4197 Approved
0.6583 Remote Similarity NPD8033 Approved
0.6583 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6583 Remote Similarity NPD5983 Phase 2
0.6583 Remote Similarity NPD6908 Approved
0.6583 Remote Similarity NPD6909 Approved
0.6579 Remote Similarity NPD5250 Approved
0.6579 Remote Similarity NPD5248 Approved
0.6579 Remote Similarity NPD5169 Approved
0.6579 Remote Similarity NPD5247 Approved
0.6579 Remote Similarity NPD5251 Approved
0.6579 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6579 Remote Similarity NPD5249 Phase 3
0.6579 Remote Similarity NPD5135 Approved
0.6566 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6559 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7492 Approved
0.6555 Remote Similarity NPD7516 Approved
0.6549 Remote Similarity NPD5168 Approved
0.6535 Remote Similarity NPD1694 Approved
0.6531 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5216 Approved
0.6522 Remote Similarity NPD5127 Approved
0.6522 Remote Similarity NPD5215 Approved
0.6522 Remote Similarity NPD5217 Approved
0.6522 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6509 Remote Similarity NPD6001 Approved
0.6504 Remote Similarity NPD6336 Discontinued
0.6504 Remote Similarity NPD6616 Approved
0.65 Remote Similarity NPD8294 Approved
0.65 Remote Similarity NPD6059 Approved
0.65 Remote Similarity NPD8377 Approved
0.65 Remote Similarity NPD6054 Approved
0.6495 Remote Similarity NPD3617 Approved
0.6495 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4690 Approved
0.6471 Remote Similarity NPD5205 Approved
0.6471 Remote Similarity NPD4689 Approved
0.6471 Remote Similarity NPD7327 Approved
0.6471 Remote Similarity NPD7328 Approved
0.6471 Remote Similarity NPD4138 Approved

Structure

External Identifiers

PubChem CID   15385516
ChEMBL   CHEMBL515705
ZINC  

Physicochemical Properties

Molecular Weight:  488.35
ALogP:  1.0752
MLogP:  4.21
XLogP:  5.944
# Rotatable Bonds:  12
Polar Surface Area:  97.99
# H-Bond Aceptor:  5
# H-Bond Donor:  4
# Rings:  5
# Heavy Atoms:  35

Download Data

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