NPASS Natural Product

Natural Product: NPC218525

Natural Product ID:	NPC218525
Common Name:	Widdrol
IUPAC Name:	(7S,9aS)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
Synonyms:
Molecular Formula:	C15H26O
Standard InCHIKey:	BXGVVQADPFXGHD-LSDHHAIUSA-N
Standard InCHI:	InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14-,15+/m0/s1
Canonical SMILES:	C[C@@]1(O)CC=C2[C@@](CC1)(C)CCCC2(C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO10540	Passiflora incarnata	Species	Passifloraceae	Eukaryota	UNPD*
NPO6454	Delphinium tatsienense	Species	Ranunculaceae	Eukaryota	UNPD*
NPO18306	Juniperus thurifera	Species	Cupressaceae	Eukaryota	UNPD*
NPO12072	Escallonia philippiana	Species	Escalloniaceae	Eukaryota	UNPD*
NPO18805	Tripolium pannonicum	Species	Asteraceae	Eukaryota	UNPD*
NPO18061	Anacystis cyanea	NA	NA	NA	UNPD*
NPO14255	Streptomyces flocculus	Species	Streptomycetaceae	Bacteria	UNPD*
NPO88	Rheum undulatum	Species	Polygonaceae	Eukaryota	UNPD*
NPO29463	Pogostemon cablin	Species	Lamiaceae	Eukaryota	TCMSP*
NPO1338	Arcangelisia gusanlung	Species	Menispermaceae	Eukaryota	UNPD*
NPO2553	Adenocarpus commutatus	Species	Fabaceae	Eukaryota	UNPD*
NPO29141	Panax ginseng	Species	Araliaceae	Eukaryota	TM-MC*
NPO2247	Iphiona scabra	Species	Asteraceae	Eukaryota	UNPD*
NPO16088	Streptomyces scabiei	Species	Streptomycetaceae	Bacteria	UNPD*
NPO15608	Tanacetum santolina	Species	Asteraceae	Eukaryota	UNPD*
NPO19057	Lentinellus omphalodes	Species	Auriscalpiaceae	Eukaryota	UNPD*
NPO23693	Alseodaphne semecarpifolia	Species	Lauraceae	Eukaryota	UNPD*
NPO10712	Tabebuia rosea	Species	Bignoniaceae	Eukaryota	UNPD*
NPO5189	Glycine tomentella	Species	Fabaceae	Eukaryota	UNPD*
NPO7174	Callyspongia truncata	Species	Callyspongiidae	Eukaryota	UNPD*
NPO17190	Senecio erraticus	Species	Asteraceae	Eukaryota	UNPD*
NPO18377	Chaetomium retardatum	Species	Chaetomiaceae	Eukaryota	UNPD*
NPO5314	Sargassum parvivesiculosum	Species	Sargassaceae	Eukaryota	UNPD*
NPO13166	Nicotiana undulata	Species	Solanaceae	Eukaryota	UNPD*
NPO12282	Parmelia conspersa	Species	Parmeliaceae	Eukaryota	UNPD*
NPO19127	Citrus tankan	Species	Rutaceae	Eukaryota	UNPD*
NPO19635	Coreopsis nodosa	Species	Asteraceae	Eukaryota	UNPD*
NPO12684	Trigonella grandiflora	Species	Fabaceae	Eukaryota	UNPD*
NPO5105	Lagenaria siceraria	Species	Cucurbitaceae	Eukaryota	UNPD*
NPO13594	Hippocratea indica	Species	Celastraceae	Eukaryota	UNPD*
NPO22666	Haematococcus lacustris	Species	Haematococcaceae	Eukaryota	UNPD*
NPO18520	Helipterum strictum	Species	Asteraceae	Eukaryota	UNPD*
NPO11488	Alstonia muelleriana	Species	Apocynaceae	Eukaryota	UNPD*
NPO4947	Tagetes minuta	Species	Asteraceae	Eukaryota	UNPD*
NPO14354	Artemisia cina	Species	Asteraceae	Eukaryota	UNPD*
NPO11603	Lathyrus macrorrhizus	Species	Fabaceae	Eukaryota	UNPD*
NPO15358	Entandrophragma cylindricum	Species	Meliaceae	Eukaryota	UNPD*
NPO16293	Babylonia japonica	Species	Buccinidae	Eukaryota	UNPD*
NPO7090	Ammi majus	Species	Apiaceae	Eukaryota	UNPD*
NPO5764	Ophioglossum vulgatum	Species	Ophioglossaceae	Eukaryota	UNPD*
NPO11677	Lactobacillus acidophilus	Species	Lactobacillaceae	Bacteria	UNPD*
NPO13963	Laurencia elata	Species	Rhodomelaceae	Eukaryota	UNPD*
NPO731	Panax schinseng	Species	Araliaceae	Eukaryota	UNPD*
NPO25454	Plumbago europaea	Species	Plumbaginaceae	Eukaryota	UNPD*
NPO18242	Gleichenia glauca	Species	Gleicheniaceae	Eukaryota	UNPD*
NPO8197	Scrophularia deserti	Species	Scrophulariaceae	Eukaryota	UNPD*
NPO17275	Chamaemelum scariosum	Species	Asteraceae	Eukaryota	UNPD*
NPO19189	Brickellia pendula	Species	Asteraceae	Eukaryota	UNPD*
NPO9604	Amycolatopsis lurida	Species	Pseudonocardiaceae	Bacteria	UNPD*
NPO3050	Cladonia pseudodidyma	Species	Cladoniaceae	Eukaryota	UNPD*
NPO3111	Daphnandra micrantha	Species	Atherospermataceae	Eukaryota	UNPD*
NPO17839	Machaerium mucronulatum	Species	Dolichopodidae	Eukaryota	UNPD*
NPO5260	Osteospermum thodei	Species	Asteraceae	Eukaryota	UNPD*
NPO21938	Coleus carnosus	Species	Lamiaceae	Eukaryota	UNPD*
NPO11642	Dacrydium cupressinum	Species	Podocarpaceae	Eukaryota	UNPD*
NPO7807	Polyporus sulphureus	Species	Polyporaceae	Eukaryota	UNPD*
NPO12001	Saccharomyces pastori	Species	Saccharomycetaceae	Eukaryota	UNPD*
NPO18707	Allium ursinum	Species	Amaryllidaceae	Eukaryota	UNPD*
NPO7604	Viguiera lanceolata	Species	Asteraceae	Eukaryota	UNPD*
NPO16653	Matteuccia struthiopteris	Species	Onocleaceae	Eukaryota	UNPD*
NPO18173	Pyrocystis lunula	Species	Pyrocystaceae	Eukaryota	UNPD*
NPO17831	Millettia racemosa	Species	Fabaceae	Eukaryota	UNPD*
NPO16829	Dunaliella acidophila	Species	Dunaliellaceae	Eukaryota	UNPD*
NPO17709	Timonius kaniensis	Species	Rubiaceae	Eukaryota	UNPD*
NPO4112	Ficus fistulosa	Species	Moraceae	Eukaryota	UNPD*
NPO12801	Aglaia meridionalis	Species	Meliaceae	Eukaryota	UNPD*
NPO3746	Hesperocyparis nevadensis	Species	Cupressaceae	Eukaryota	UNPD*
NPO18575	Ochtodes crockeri	Species	Rhizophyllidaceae	Eukaryota	UNPD*
NPO7998	Senecio paludaffinis	Species	Asteraceae	Eukaryota	UNPD*
NPO421	Polygonum maritimum	Species	Polygonaceae	Eukaryota	UNPD*
NPO17718	Artemisia schmidtiana	Species	Asteraceae	Eukaryota	UNPD*
NPO5403	Fagus menziesii	Species	Fagaceae	Eukaryota	UNPD*
NPO9535	Cortinarius basirubescens	Species	Cortinariaceae	Eukaryota	UNPD*
NPO1533	Corynespora cassiicola	Species	Corynesporascaceae	Eukaryota	UNPD*
NPO17385	Magnolia acuminata	Species	Magnoliaceae	Eukaryota	UNPD*
NPO18983	Cleidion brevipetiolatum	Species	Euphorbiaceae	Eukaryota	UNPD*
NPO17802	Simmondsia chinensis	Species	Simmondsiaceae	Eukaryota	UNPD*
NPO18792	Crotalaria lechnaultii	Species	Fabaceae	Eukaryota	UNPD*
NPO21302	Cladosporium herbarum	Species	Cladosporiaceae	Eukaryota	UNPD*
NPO17068	Talaromyces wortmanni	Species	Trichocomaceae	Eukaryota	UNPD*
NPO13568	Hypoxylon rubiginosum	Species	Xylariaceae	Eukaryota	UNPD*
NPO7759	Penicillium nalgiovensis	Species	Aspergillaceae	Eukaryota	UNPD*
NPO17596	Ficus maxima	Species	Moraceae	Eukaryota	UNPD*
NPO16966	Leptospermum scoparium	Species	Myrtaceae	Eukaryota	UNPD*
NPO21854	Pterocladiella tenuis	Species	Gelidiaceae	Eukaryota	UNPD*
NPO7904	Ganoderma applanatum	Species	Ganodermataceae	Eukaryota	UNPD*
NPO11248	Tachigalia paniculata	NA	NA	NA	UNPD*
NPO18847	Copaifera paupera	Species	Fabaceae	Eukaryota	UNPD*
NPO210	Uvaria calamistrata	Species	Annonaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	GI	=	70.7	%	17002416
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	GI	=	60	%	17002416

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 NPC218525 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	72
0.1-0.2	1146
0.2-0.3	8479
0.3-0.4	10793
0.4-0.5	6558
0.5-0.6	3153
0.6-0.7	632
0.7-0.8	56
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.7869	Intermediate Similarity	NPC81615
0.7833	Intermediate Similarity	NPC135648
0.7759	Intermediate Similarity	NPC179024
0.7759	Intermediate Similarity	NPC39068
0.7679	Intermediate Similarity	NPC179169
0.7679	Intermediate Similarity	NPC306195
0.7679	Intermediate Similarity	NPC181255
0.7679	Intermediate Similarity	NPC157781
0.7679	Intermediate Similarity	NPC35519
0.7667	Intermediate Similarity	NPC469321
0.7627	Intermediate Similarity	NPC278550
0.7544	Intermediate Similarity	NPC192962
0.75	Intermediate Similarity	NPC214584
0.75	Intermediate Similarity	NPC279434
0.75	Intermediate Similarity	NPC26906
0.7463	Intermediate Similarity	NPC477792
0.746	Intermediate Similarity	NPC290367
0.7458	Intermediate Similarity	NPC264779
0.7458	Intermediate Similarity	NPC274396
0.7419	Intermediate Similarity	NPC194208
0.7419	Intermediate Similarity	NPC475251
0.7419	Intermediate Similarity	NPC79576
0.7419	Intermediate Similarity	NPC282694
0.7377	Intermediate Similarity	NPC5698
0.7368	Intermediate Similarity	NPC177112
0.7368	Intermediate Similarity	NPC71506
0.7321	Intermediate Similarity	NPC329773
0.7302	Intermediate Similarity	NPC174956
0.7273	Intermediate Similarity	NPC100445
0.7273	Intermediate Similarity	NPC94192
0.7273	Intermediate Similarity	NPC208999
0.7258	Intermediate Similarity	NPC240506
0.7258	Intermediate Similarity	NPC252809
0.7258	Intermediate Similarity	NPC323153
0.7213	Intermediate Similarity	NPC189290
0.7213	Intermediate Similarity	NPC475830
0.7213	Intermediate Similarity	NPC474769
0.7188	Intermediate Similarity	NPC225415
0.7167	Intermediate Similarity	NPC48891
0.7164	Intermediate Similarity	NPC473893
0.7164	Intermediate Similarity	NPC476431
0.7143	Intermediate Similarity	NPC41160
0.7143	Intermediate Similarity	NPC210346
0.7121	Intermediate Similarity	NPC114651
0.7121	Intermediate Similarity	NPC136813
0.7115	Intermediate Similarity	NPC188596
0.7077	Intermediate Similarity	NPC205618
0.7077	Intermediate Similarity	NPC469326
0.7077	Intermediate Similarity	NPC261782
0.7077	Intermediate Similarity	NPC163678
0.7059	Intermediate Similarity	NPC475728
0.7059	Intermediate Similarity	NPC92801
0.7059	Intermediate Similarity	NPC145498
0.7031	Intermediate Similarity	NPC133368
0.7031	Intermediate Similarity	NPC474480
0.7031	Intermediate Similarity	NPC211291
0.697	Remote Similarity	NPC286669
0.697	Remote Similarity	NPC476039
0.697	Remote Similarity	NPC250977
0.697	Remote Similarity	NPC149680
0.697	Remote Similarity	NPC202017
0.697	Remote Similarity	NPC222366
0.6957	Remote Similarity	NPC167706
0.6957	Remote Similarity	NPC242001
0.6957	Remote Similarity	NPC164022
0.6935	Remote Similarity	NPC10017
0.6923	Remote Similarity	NPC96793
0.6923	Remote Similarity	NPC323424
0.6912	Remote Similarity	NPC474248
0.6875	Remote Similarity	NPC274704
0.6866	Remote Similarity	NPC171225
0.6866	Remote Similarity	NPC197805
0.6866	Remote Similarity	NPC96962
0.6866	Remote Similarity	NPC68703
0.6866	Remote Similarity	NPC69649
0.6857	Remote Similarity	NPC247586
0.6857	Remote Similarity	NPC471799
0.6825	Remote Similarity	NPC122239
0.6818	Remote Similarity	NPC64123
0.6812	Remote Similarity	NPC34834
0.6806	Remote Similarity	NPC61080
0.6806	Remote Similarity	NPC265588
0.678	Remote Similarity	NPC294358
0.678	Remote Similarity	NPC40417
0.6769	Remote Similarity	NPC473759
0.6769	Remote Similarity	NPC279200
0.6769	Remote Similarity	NPC474155
0.6769	Remote Similarity	NPC83200
0.6765	Remote Similarity	NPC96484
0.6765	Remote Similarity	NPC167527
0.6765	Remote Similarity	NPC471238
0.6765	Remote Similarity	NPC216460
0.6765	Remote Similarity	NPC32055
0.6765	Remote Similarity	NPC160209
0.6761	Remote Similarity	NPC477138
0.6761	Remote Similarity	NPC78527
0.6761	Remote Similarity	NPC329090
0.6761	Remote Similarity	NPC27395
0.6761	Remote Similarity	NPC201048
0.6761	Remote Similarity	NPC471797
0.6761	Remote Similarity	NPC22134
0.6761	Remote Similarity	NPC476366
0.6761	Remote Similarity	NPC243342
0.6724	Remote Similarity	NPC131623
0.6721	Remote Similarity	NPC67508
0.6721	Remote Similarity	NPC84824
0.6719	Remote Similarity	NPC176621
0.6719	Remote Similarity	NPC66020
0.6716	Remote Similarity	NPC476406
0.6716	Remote Similarity	NPC267027
0.6716	Remote Similarity	NPC230107
0.6714	Remote Similarity	NPC41886
0.6714	Remote Similarity	NPC84790
0.6714	Remote Similarity	NPC110799
0.6714	Remote Similarity	NPC471272
0.6714	Remote Similarity	NPC242992
0.6712	Remote Similarity	NPC283619
0.6712	Remote Similarity	NPC155986
0.6712	Remote Similarity	NPC318495
0.6712	Remote Similarity	NPC198968
0.6667	Remote Similarity	NPC269877
0.6667	Remote Similarity	NPC285893
0.6667	Remote Similarity	NPC477923
0.6667	Remote Similarity	NPC66566
0.6667	Remote Similarity	NPC28657
0.6667	Remote Similarity	NPC165755
0.6667	Remote Similarity	NPC110241
0.6667	Remote Similarity	NPC144650
0.6667	Remote Similarity	NPC291503
0.6667	Remote Similarity	NPC162742
0.6667	Remote Similarity	NPC101128
0.6667	Remote Similarity	NPC328104
0.6667	Remote Similarity	NPC309300
0.6667	Remote Similarity	NPC133580
0.6667	Remote Similarity	NPC107540
0.6667	Remote Similarity	NPC167272
0.6667	Remote Similarity	NPC288035
0.6667	Remote Similarity	NPC22105
0.6667	Remote Similarity	NPC230301
0.6667	Remote Similarity	NPC32832
0.6667	Remote Similarity	NPC136188
0.6667	Remote Similarity	NPC134847
0.6667	Remote Similarity	NPC304309
0.6667	Remote Similarity	NPC474592
0.6667	Remote Similarity	NPC319090
0.6667	Remote Similarity	NPC144647
0.6667	Remote Similarity	NPC471560
0.6622	Remote Similarity	NPC297996
0.662	Remote Similarity	NPC130665
0.662	Remote Similarity	NPC474140
0.662	Remote Similarity	NPC182717
0.662	Remote Similarity	NPC265485
0.662	Remote Similarity	NPC220939
0.662	Remote Similarity	NPC68443
0.6618	Remote Similarity	NPC474477
0.6618	Remote Similarity	NPC472255
0.6618	Remote Similarity	NPC82337
0.6618	Remote Similarity	NPC472253
0.6615	Remote Similarity	NPC63111
0.6615	Remote Similarity	NPC469728
0.6607	Remote Similarity	NPC87439
0.6607	Remote Similarity	NPC210560
0.6607	Remote Similarity	NPC165651
0.6607	Remote Similarity	NPC24824
0.6575	Remote Similarity	NPC106364
0.6575	Remote Similarity	NPC321016
0.6575	Remote Similarity	NPC113733
0.6575	Remote Similarity	NPC240604
0.6575	Remote Similarity	NPC167873
0.6575	Remote Similarity	NPC477925
0.6575	Remote Similarity	NPC315261
0.6575	Remote Similarity	NPC1973
0.6575	Remote Similarity	NPC321381
0.6575	Remote Similarity	NPC107059
0.6575	Remote Similarity	NPC274079
0.6575	Remote Similarity	NPC96319
0.6575	Remote Similarity	NPC300324
0.6575	Remote Similarity	NPC470749
0.6571	Remote Similarity	NPC49422
0.6571	Remote Similarity	NPC9161
0.6571	Remote Similarity	NPC471781
0.6567	Remote Similarity	NPC208198
0.6567	Remote Similarity	NPC238352
0.6567	Remote Similarity	NPC287339
0.6567	Remote Similarity	NPC172613
0.6567	Remote Similarity	NPC477009
0.6567	Remote Similarity	NPC258595
0.6567	Remote Similarity	NPC60837
0.6567	Remote Similarity	NPC471200
0.6567	Remote Similarity	NPC61503
0.6567	Remote Similarity	NPC282619
0.6567	Remote Similarity	NPC2728
0.6567	Remote Similarity	NPC11555
0.6562	Remote Similarity	NPC184049
0.6562	Remote Similarity	NPC99480
0.6552	Remote Similarity	NPC294858
0.6545	Remote Similarity	NPC15162
0.6533	Remote Similarity	NPC291379
0.6533	Remote Similarity	NPC328714
0.6533	Remote Similarity	NPC233295

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC218525 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	96
0.1-0.2	1948
0.2-0.3	4502
0.3-0.4	1911
0.4-0.5	503
0.5-0.6	152
0.6-0.7	47
0.7-0.8	2
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7	Intermediate Similarity	NPD4784	Approved
0.7	Intermediate Similarity	NPD4785	Approved
0.6957	Remote Similarity	NPD4243	Approved
0.6912	Remote Similarity	NPD1082	Approved
0.6761	Remote Similarity	NPD6926	Approved
0.6761	Remote Similarity	NPD6924	Approved
0.6667	Remote Similarity	NPD4190	Phase 3
0.6667	Remote Similarity	NPD6922	Approved
0.6667	Remote Similarity	NPD5275	Approved
0.6667	Remote Similarity	NPD6923	Approved
0.6667	Remote Similarity	NPD6942	Approved
0.6667	Remote Similarity	NPD7339	Approved
0.6575	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD6933	Approved
0.6571	Remote Similarity	NPD7144	Approved
0.6571	Remote Similarity	NPD7143	Approved
0.6479	Remote Similarity	NPD7150	Approved
0.6479	Remote Similarity	NPD7151	Approved
0.6479	Remote Similarity	NPD7152	Approved
0.6471	Remote Similarity	NPD7331	Phase 2
0.6452	Remote Similarity	NPD342	Phase 1
0.6429	Remote Similarity	NPD791	Approved
0.6429	Remote Similarity	NPD15	Approved
0.6364	Remote Similarity	NPD368	Approved
0.6316	Remote Similarity	NPD4195	Approved
0.6267	Remote Similarity	NPD6932	Approved
0.6234	Remote Similarity	NPD7509	Discontinued
0.6234	Remote Similarity	NPD7525	Registered
0.6234	Remote Similarity	NPD6931	Approved
0.6234	Remote Similarity	NPD6930	Phase 2
0.6234	Remote Similarity	NPD4695	Discontinued
0.6216	Remote Similarity	NPD8264	Approved
0.6184	Remote Similarity	NPD7322	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD4732	Discontinued
0.6133	Remote Similarity	NPD1346	Approved
0.6104	Remote Similarity	NPD6929	Approved
0.6104	Remote Similarity	NPD7645	Phase 2
0.6104	Remote Similarity	NPD6683	Phase 2
0.6094	Remote Similarity	NPD4219	Approved
0.6087	Remote Similarity	NPD7341	Phase 2
0.6076	Remote Similarity	NPD4223	Phase 3
0.6076	Remote Similarity	NPD4221	Approved
0.6076	Remote Similarity	NPD3667	Approved
0.6053	Remote Similarity	NPD5776	Phase 2
0.6053	Remote Similarity	NPD6925	Approved
0.6026	Remote Similarity	NPD7332	Phase 2
0.6026	Remote Similarity	NPD4748	Discontinued
0.6026	Remote Similarity	NPD7514	Phase 3
0.6	Remote Similarity	NPD6695	Phase 3
0.5974	Remote Similarity	NPD7145	Approved
0.5949	Remote Similarity	NPD6898	Phase 1
0.5926	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.5926	Remote Similarity	NPD4786	Approved
0.5926	Remote Similarity	NPD4197	Approved
0.5904	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.5854	Remote Similarity	NPD6893	Approved
0.5854	Remote Similarity	NPD5329	Approved
0.5854	Remote Similarity	NPD1696	Phase 3
0.5797	Remote Similarity	NPD2664	Clinical (unspecified phase)
0.5789	Remote Similarity	NPD1799	Clinical (unspecified phase)
0.5783	Remote Similarity	NPD4689	Approved
0.5783	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.5783	Remote Similarity	NPD5690	Phase 2
0.5783	Remote Similarity	NPD4690	Approved
0.5783	Remote Similarity	NPD4694	Approved
0.5783	Remote Similarity	NPD4688	Approved
0.5783	Remote Similarity	NPD5205	Approved
0.5783	Remote Similarity	NPD4138	Approved
0.5783	Remote Similarity	NPD4623	Approved
0.5783	Remote Similarity	NPD5280	Approved
0.5783	Remote Similarity	NPD4693	Phase 3
0.5783	Remote Similarity	NPD4519	Discontinued
0.5769	Remote Similarity	NPD3617	Approved
0.5763	Remote Similarity	NPD388	Approved
0.5763	Remote Similarity	NPD386	Approved
0.575	Remote Similarity	NPD4692	Approved
0.575	Remote Similarity	NPD6902	Approved
0.575	Remote Similarity	NPD4139	Approved
0.5732	Remote Similarity	NPD3666	Approved
0.5732	Remote Similarity	NPD3665	Phase 1
0.5732	Remote Similarity	NPD3133	Approved
0.5714	Remote Similarity	NPD7750	Discontinued
0.5714	Remote Similarity	NPD7524	Approved
0.5652	Remote Similarity	NPD4194	Approved
0.5652	Remote Similarity	NPD4191	Approved
0.5652	Remote Similarity	NPD4193	Approved
0.5652	Remote Similarity	NPD4192	Approved
0.5647	Remote Similarity	NPD4722	Approved
0.5647	Remote Similarity	NPD4723	Approved

Structure

External Identifiers

PubChem CID	94334
ChEMBL	CHEMBL2253133
ZINC

Physicochemical Properties

Molecular Weight:	222.20
ALogP:	1.3701
MLogP:	3
XLogP:	4.386
# Rotatable Bonds:	5
Polar Surface Area:	20.23
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	16

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