Natural Product: NPC61952

Natural Product ID:  NPC61952
Common Name:   Agathic Acid
IUPAC Name:   (1S,4aR,5S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Synonyms:   Agathic Acid; Agathicacid
Molecular Formula:   C20H30O4
Standard InCHIKey:  QYCOHMYDSOZCQD-GWEOMKHGSA-N
Standard InCHI:  InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+/t15-,16+,19+,20-/m0/s1
Canonical SMILES:  OC(=O)/C=C(/CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)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
NPO30782 Brazilian propolis NA NA NA Brazil PMID[9677271]
NPO32774 Copaifera Genus Fabaceae Eukaryota PMID[22440015]
NPO29798 Podocarpus imbricatus Species Podocarpaceae Eukaryota twigs and leaves PMID[24953598]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 14900 nM PubChem BioAssay data set
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi EC50 = 823300 nM 23805957
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 13.37 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 0.45 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 84.11 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 50.32 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 2.07 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 2.51 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 32.97 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 14.2 % 8277308
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 86800 nM 25310730
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi Activity = 38 % 8350092
NPT453 Cell Line HT-1080 Homo sapiens ED50 = 75.43 ug/ml 9514009
NPT2 Others Unspecified Ratio CC50/IC50 = 3.8 12088425
NPT2679 Cell Line LLC-MK2 Macaca mulatta CC50 = 56800 nM 23434030
NPT2 Others Unspecified ED50 = 95.92 ug/ml 23398362
NPT81 Cell Line A549 Homo sapiens IC50 = 47800 nM 20405844
NPT2452 Cell Line NCI-H292 IC50 = 20300 nM 26110443

  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 NPC61952 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
0.9861 High Similarity NPC198240
0.9211 High Similarity NPC40228
0.9103 High Similarity NPC19849
0.9103 High Similarity NPC248758
0.9103 High Similarity NPC472864
0.9067 High Similarity NPC239098
0.8974 High Similarity NPC97913
0.8933 High Similarity NPC165711
0.8933 High Similarity NPC97377
0.8919 High Similarity NPC476795
0.8875 High Similarity NPC472869
0.8875 High Similarity NPC186975
0.8861 High Similarity NPC164577
0.8861 High Similarity NPC472865
0.8816 High Similarity NPC59436
0.88 High Similarity NPC180886
0.8784 High Similarity NPC283908
0.8784 High Similarity NPC103958
0.8784 High Similarity NPC237591
0.8784 High Similarity NPC3753
0.8784 High Similarity NPC161923
0.8784 High Similarity NPC183503
0.8767 High Similarity NPC133253
0.8765 High Similarity NPC476409
0.8765 High Similarity NPC236618
0.875 High Similarity NPC65661
0.8734 High Similarity NPC49019
0.8718 High Similarity NPC14203
0.8718 High Similarity NPC278459
0.8718 High Similarity NPC229584
0.8718 High Similarity NPC90055
0.8667 High Similarity NPC476844
0.8667 High Similarity NPC192540
0.8667 High Similarity NPC279666
0.8659 High Similarity NPC117122
0.8659 High Similarity NPC48107
0.8659 High Similarity NPC472870
0.8659 High Similarity NPC104560
0.8649 High Similarity NPC35656
0.863 High Similarity NPC235586
0.8611 High Similarity NPC290445
0.8611 High Similarity NPC36616
0.8571 High Similarity NPC110094
0.8571 High Similarity NPC280654
0.8571 High Similarity NPC260385
0.8571 High Similarity NPC74410
0.8571 High Similarity NPC179028
0.8554 High Similarity NPC66344
0.8553 High Similarity NPC69143
0.8537 High Similarity NPC136948
0.8533 High Similarity NPC251970
0.8533 High Similarity NPC476046
0.8533 High Similarity NPC46610
0.8533 High Similarity NPC241854
0.8533 High Similarity NPC18819
0.8519 High Similarity NPC86316
0.8519 High Similarity NPC106416
0.8519 High Similarity NPC269638
0.8514 High Similarity NPC160817
0.8514 High Similarity NPC21944
0.85 High Similarity NPC215893
0.8481 Intermediate Similarity NPC471898
0.8462 Intermediate Similarity NPC199595
0.8452 Intermediate Similarity NPC477782
0.8452 Intermediate Similarity NPC472866
0.8442 Intermediate Similarity NPC471897
0.8442 Intermediate Similarity NPC107039
0.8442 Intermediate Similarity NPC132542
0.8442 Intermediate Similarity NPC471899
0.8434 Intermediate Similarity NPC72397
0.8421 Intermediate Similarity NPC472327
0.84 Intermediate Similarity NPC130016
0.84 Intermediate Similarity NPC109576
0.84 Intermediate Similarity NPC56747
0.84 Intermediate Similarity NPC180015
0.8395 Intermediate Similarity NPC96095
0.8375 Intermediate Similarity NPC302661
0.8375 Intermediate Similarity NPC238991
0.8375 Intermediate Similarity NPC200513
0.8354 Intermediate Similarity NPC37038
0.8354 Intermediate Similarity NPC104545
0.8353 Intermediate Similarity NPC470113
0.8353 Intermediate Similarity NPC473986
0.8353 Intermediate Similarity NPC474018
0.8353 Intermediate Similarity NPC289479
0.8353 Intermediate Similarity NPC477783
0.8333 Intermediate Similarity NPC118011
0.8333 Intermediate Similarity NPC174342
0.8333 Intermediate Similarity NPC262043
0.8333 Intermediate Similarity NPC36668
0.8333 Intermediate Similarity NPC321514
0.8333 Intermediate Similarity NPC471409
0.8333 Intermediate Similarity NPC275494
0.8313 Intermediate Similarity NPC128644
0.8312 Intermediate Similarity NPC263582
0.8312 Intermediate Similarity NPC309399
0.8312 Intermediate Similarity NPC89294
0.8289 Intermediate Similarity NPC301065
0.8289 Intermediate Similarity NPC213223
0.8272 Intermediate Similarity NPC102197
0.8272 Intermediate Similarity NPC105803
0.8256 Intermediate Similarity NPC472303
0.8256 Intermediate Similarity NPC472871
0.8256 Intermediate Similarity NPC151722
0.8256 Intermediate Similarity NPC476416
0.825 Intermediate Similarity NPC221647
0.825 Intermediate Similarity NPC477372
0.8235 Intermediate Similarity NPC476437
0.8235 Intermediate Similarity NPC51486
0.8235 Intermediate Similarity NPC476369
0.8228 Intermediate Similarity NPC308038
0.8228 Intermediate Similarity NPC158846
0.8228 Intermediate Similarity NPC192329
0.8228 Intermediate Similarity NPC327674
0.8228 Intermediate Similarity NPC16394
0.8228 Intermediate Similarity NPC231431
0.8205 Intermediate Similarity NPC472300
0.8205 Intermediate Similarity NPC257666
0.8205 Intermediate Similarity NPC266193
0.8194 Intermediate Similarity NPC107258
0.8193 Intermediate Similarity NPC473226
0.8193 Intermediate Similarity NPC322159
0.8193 Intermediate Similarity NPC82979
0.8182 Intermediate Similarity NPC39362
0.8182 Intermediate Similarity NPC476346
0.8182 Intermediate Similarity NPC469803
0.8182 Intermediate Similarity NPC201027
0.8171 Intermediate Similarity NPC476412
0.8171 Intermediate Similarity NPC194937
0.8171 Intermediate Similarity NPC476038
0.8158 Intermediate Similarity NPC247586
0.8148 Intermediate Similarity NPC469799
0.8148 Intermediate Similarity NPC2524
0.8148 Intermediate Similarity NPC469806
0.8148 Intermediate Similarity NPC320514
0.814 Intermediate Similarity NPC472814
0.814 Intermediate Similarity NPC476187
0.814 Intermediate Similarity NPC177037
0.8133 Intermediate Similarity NPC91369
0.8125 Intermediate Similarity NPC281880
0.8125 Intermediate Similarity NPC477057
0.8125 Intermediate Similarity NPC271104
0.8118 Intermediate Similarity NPC281524
0.8118 Intermediate Similarity NPC5509
0.8118 Intermediate Similarity NPC251528
0.8101 Intermediate Similarity NPC269543
0.8101 Intermediate Similarity NPC62336
0.8101 Intermediate Similarity NPC247783
0.8101 Intermediate Similarity NPC169095
0.8077 Intermediate Similarity NPC472305
0.8077 Intermediate Similarity NPC19907
0.8072 Intermediate Similarity NPC30984
0.8072 Intermediate Similarity NPC474537
0.8072 Intermediate Similarity NPC474680
0.8072 Intermediate Similarity NPC283733
0.8072 Intermediate Similarity NPC29447
0.8068 Intermediate Similarity NPC476174
0.8068 Intermediate Similarity NPC293052
0.8056 Intermediate Similarity NPC234767
0.8052 Intermediate Similarity NPC166797
0.8049 Intermediate Similarity NPC200752
0.8049 Intermediate Similarity NPC79945
0.8049 Intermediate Similarity NPC167103
0.8049 Intermediate Similarity NPC476927
0.8049 Intermediate Similarity NPC3856
0.8049 Intermediate Similarity NPC279639
0.8046 Intermediate Similarity NPC139692
0.8046 Intermediate Similarity NPC131840
0.8026 Intermediate Similarity NPC72343
0.8025 Intermediate Similarity NPC327002
0.8025 Intermediate Similarity NPC159148
0.8025 Intermediate Similarity NPC226068
0.8025 Intermediate Similarity NPC274050
0.8025 Intermediate Similarity NPC162632
0.8025 Intermediate Similarity NPC170303
0.8025 Intermediate Similarity NPC263272
0.8025 Intermediate Similarity NPC142244
0.8025 Intermediate Similarity NPC147066
0.8025 Intermediate Similarity NPC267691
0.8023 Intermediate Similarity NPC232202
0.8 Intermediate Similarity NPC477371
0.8 Intermediate Similarity NPC170394
0.8 Intermediate Similarity NPC476427
0.8 Intermediate Similarity NPC124927
0.8 Intermediate Similarity NPC475101
0.7978 Intermediate Similarity NPC134072
0.7978 Intermediate Similarity NPC301534
0.7978 Intermediate Similarity NPC250757
0.7978 Intermediate Similarity NPC29152
0.7978 Intermediate Similarity NPC234993
0.7978 Intermediate Similarity NPC242848
0.7976 Intermediate Similarity NPC472986
0.7976 Intermediate Similarity NPC470415
0.7976 Intermediate Similarity NPC472985
0.7975 Intermediate Similarity NPC74995
0.7975 Intermediate Similarity NPC34110
0.7955 Intermediate Similarity NPC476415
0.7952 Intermediate Similarity NPC165064
0.7952 Intermediate Similarity NPC156981
0.7931 Intermediate Similarity NPC165904

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC61952 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
0.8375 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD4695 Discontinued
0.7976 Intermediate Similarity NPD4623 Approved
0.7976 Intermediate Similarity NPD4519 Discontinued
0.7727 Intermediate Similarity NPD7515 Phase 2
0.7711 Intermediate Similarity NPD4221 Approved
0.7711 Intermediate Similarity NPD4223 Phase 3
0.7701 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD7748 Approved
0.7529 Intermediate Similarity NPD3666 Approved
0.7529 Intermediate Similarity NPD4197 Approved
0.7529 Intermediate Similarity NPD3665 Phase 1
0.7529 Intermediate Similarity NPD3133 Approved
0.7528 Intermediate Similarity NPD5281 Approved
0.7528 Intermediate Similarity NPD5284 Approved
0.7442 Intermediate Similarity NPD5329 Approved
0.7439 Intermediate Similarity NPD3617 Approved
0.7386 Intermediate Similarity NPD5737 Approved
0.7386 Intermediate Similarity NPD6672 Approved
0.7356 Intermediate Similarity NPD4688 Approved
0.7356 Intermediate Similarity NPD3618 Phase 1
0.7356 Intermediate Similarity NPD5330 Approved
0.7356 Intermediate Similarity NPD6684 Approved
0.7356 Intermediate Similarity NPD7521 Approved
0.7356 Intermediate Similarity NPD4689 Approved
0.7356 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD5205 Approved
0.7356 Intermediate Similarity NPD4690 Approved
0.7356 Intermediate Similarity NPD6409 Approved
0.7356 Intermediate Similarity NPD7146 Approved
0.7356 Intermediate Similarity NPD7334 Approved
0.7356 Intermediate Similarity NPD4693 Phase 3
0.7356 Intermediate Similarity NPD4138 Approved
0.734 Intermediate Similarity NPD7639 Approved
0.734 Intermediate Similarity NPD6404 Discontinued
0.734 Intermediate Similarity NPD7640 Approved
0.7333 Intermediate Similarity NPD5693 Phase 1
0.7312 Intermediate Similarity NPD6083 Phase 2
0.7312 Intermediate Similarity NPD6084 Phase 2
0.7312 Intermediate Similarity NPD7902 Approved
0.7303 Intermediate Similarity NPD6673 Approved
0.7303 Intermediate Similarity NPD6080 Approved
0.7303 Intermediate Similarity NPD4753 Phase 2
0.7303 Intermediate Similarity NPD6904 Approved
0.7294 Intermediate Similarity NPD3667 Approved
0.7283 Intermediate Similarity NPD5695 Phase 3
0.7273 Intermediate Similarity NPD3573 Approved
0.7253 Intermediate Similarity NPD6399 Phase 3
0.7234 Intermediate Similarity NPD4225 Approved
0.7234 Intermediate Similarity NPD7638 Approved
0.7234 Intermediate Similarity NPD5696 Approved
0.7229 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7614 Phase 1
0.7191 Intermediate Similarity NPD5208 Approved
0.7191 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6903 Approved
0.7159 Intermediate Similarity NPD4694 Approved
0.7159 Intermediate Similarity NPD5280 Approved
0.7159 Intermediate Similarity NPD5690 Phase 2
0.7159 Intermediate Similarity NPD5279 Phase 3
0.7126 Intermediate Similarity NPD4786 Approved
0.7111 Intermediate Similarity NPD5328 Approved
0.7089 Intermediate Similarity NPD4137 Phase 3
0.7067 Intermediate Similarity NPD4193 Approved
0.7067 Intermediate Similarity NPD4194 Approved
0.7067 Intermediate Similarity NPD4192 Approved
0.7067 Intermediate Similarity NPD4191 Approved
0.7033 Intermediate Similarity NPD5692 Phase 3
0.7 Intermediate Similarity NPD4747 Approved
0.7 Intermediate Similarity NPD4691 Approved
0.7 Intermediate Similarity NPD6686 Approved
0.6989 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7900 Approved
0.6966 Remote Similarity NPD6098 Approved
0.6957 Remote Similarity NPD6050 Approved
0.6957 Remote Similarity NPD5694 Approved
0.6957 Remote Similarity NPD6079 Approved
0.6941 Remote Similarity NPD4195 Approved
0.6932 Remote Similarity NPD3668 Phase 3
0.6923 Remote Similarity NPD7331 Phase 2
0.6915 Remote Similarity NPD4629 Approved
0.6915 Remote Similarity NPD5210 Approved
0.6915 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6882 Remote Similarity NPD4202 Approved
0.6882 Remote Similarity NPD5778 Approved
0.6882 Remote Similarity NPD5779 Approved
0.6867 Remote Similarity NPD8039 Approved
0.6854 Remote Similarity NPD5363 Approved
0.6854 Remote Similarity NPD1694 Approved
0.6854 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6848 Remote Similarity NPD5785 Approved
0.6848 Remote Similarity NPD5207 Approved
0.6848 Remote Similarity NPD4096 Approved
0.6842 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5222 Approved
0.6842 Remote Similarity NPD5221 Approved
0.6842 Remote Similarity NPD4697 Phase 3
0.6837 Remote Similarity NPD5211 Phase 2
0.6818 Remote Similarity NPD5362 Discontinued
0.6809 Remote Similarity NPD6001 Approved
0.68 Remote Similarity NPD6402 Approved
0.68 Remote Similarity NPD7128 Approved
0.68 Remote Similarity NPD5739 Approved
0.68 Remote Similarity NPD6675 Approved
0.6795 Remote Similarity NPD7341 Phase 2
0.6774 Remote Similarity NPD6411 Approved
0.6774 Remote Similarity NPD7637 Suspended
0.6771 Remote Similarity NPD4755 Approved
0.6771 Remote Similarity NPD5173 Approved
0.6747 Remote Similarity NPD4058 Approved
0.6733 Remote Similarity NPD5701 Approved
0.6733 Remote Similarity NPD5697 Approved
0.6709 Remote Similarity NPD4224 Phase 2
0.6707 Remote Similarity NPD5276 Approved
0.6706 Remote Similarity NPD4756 Discovery
0.6705 Remote Similarity NPD4269 Approved
0.6705 Remote Similarity NPD4270 Approved
0.67 Remote Similarity NPD5141 Approved
0.6667 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD7320 Approved
0.6667 Remote Similarity NPD7632 Discontinued
0.6667 Remote Similarity NPD3172 Approved
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD6881 Approved
0.6667 Remote Similarity NPD7732 Phase 3
0.6636 Remote Similarity NPD7115 Discovery
0.6633 Remote Similarity NPD4696 Approved
0.6633 Remote Similarity NPD5285 Approved
0.6633 Remote Similarity NPD5286 Approved
0.6633 Remote Similarity NPD4700 Approved
0.663 Remote Similarity NPD4518 Approved
0.6629 Remote Similarity NPD4788 Approved
0.6629 Remote Similarity NPD7154 Phase 3
0.6602 Remote Similarity NPD6372 Approved
0.6602 Remote Similarity NPD6014 Approved
0.6602 Remote Similarity NPD6012 Approved
0.6602 Remote Similarity NPD6013 Approved
0.6602 Remote Similarity NPD6373 Approved
0.6596 Remote Similarity NPD8034 Phase 2
0.6596 Remote Similarity NPD8035 Phase 2
0.6591 Remote Similarity NPD4139 Approved
0.6591 Remote Similarity NPD857 Phase 3
0.6591 Remote Similarity NPD4692 Approved
0.6575 Remote Similarity NPD4266 Approved
0.6575 Remote Similarity NPD3194 Approved
0.6575 Remote Similarity NPD3196 Approved
0.6575 Remote Similarity NPD3195 Phase 2
0.6566 Remote Similarity NPD5223 Approved
0.6562 Remote Similarity NPD5654 Approved
0.6559 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6101 Approved
0.6548 Remote Similarity NPD4687 Approved
0.6548 Remote Similarity NPD5733 Approved
0.6543 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6883 Approved
0.6538 Remote Similarity NPD7290 Approved
0.6538 Remote Similarity NPD7102 Approved
0.6526 Remote Similarity NPD5133 Approved
0.6506 Remote Similarity NPD4243 Approved
0.6506 Remote Similarity NPD6081 Approved
0.65 Remote Similarity NPD5091 Approved
0.65 Remote Similarity NPD5225 Approved
0.65 Remote Similarity NPD5226 Approved
0.65 Remote Similarity NPD5224 Approved
0.65 Remote Similarity NPD4633 Approved
0.6489 Remote Similarity NPD6698 Approved
0.6489 Remote Similarity NPD46 Approved
0.6477 Remote Similarity NPD4819 Approved
0.6477 Remote Similarity NPD4820 Approved
0.6477 Remote Similarity NPD4822 Approved
0.6477 Remote Similarity NPD4252 Approved
0.6477 Remote Similarity NPD4821 Approved
0.6476 Remote Similarity NPD6617 Approved
0.6476 Remote Similarity NPD6847 Approved
0.6476 Remote Similarity NPD6650 Approved
0.6476 Remote Similarity NPD6649 Approved
0.6476 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6476 Remote Similarity NPD6869 Approved
0.6476 Remote Similarity NPD8130 Phase 1
0.6458 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5332 Approved
0.6444 Remote Similarity NPD5331 Approved
0.6442 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6437 Remote Similarity NPD4268 Approved
0.6437 Remote Similarity NPD4271 Approved
0.6436 Remote Similarity NPD4754 Approved
0.6436 Remote Similarity NPD6052 Approved
0.6436 Remote Similarity NPD5174 Approved
0.6436 Remote Similarity NPD5175 Approved
0.6429 Remote Similarity NPD5959 Approved
0.6415 Remote Similarity NPD8297 Approved
0.6415 Remote Similarity NPD6882 Approved
0.6413 Remote Similarity NPD5786 Approved
0.6408 Remote Similarity NPD6412 Phase 2
0.6404 Remote Similarity NPD4790 Discontinued
0.6395 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6392 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6389 Remote Similarity NPD5951 Approved
0.6383 Remote Similarity NPD6051 Approved

Structure

External Identifiers

PubChem CID   6436877
ChEMBL   CHEMBL457162
ZINC  

Physicochemical Properties

Molecular Weight:  334.21
ALogP:  1.5952
MLogP:  3.22
XLogP:  4.902
# Rotatable Bonds:  10
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  24

Download Data

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