NPASS Natural Product

Natural Product: NPC106511

Natural Product ID:	NPC106511
Common Name:	3,9-Dimethoxy-7-Methoxymethyl-5H-Dibenzo[A,C][7]Annulen-10-Ol
IUPAC Name:	3,9-dimethoxy-5-(methoxymethyl)-7H-dibenzo[1,3-d:4',3'-g][7]annulen-2-ol
Synonyms:	9,12-di-O-methylsubamol
Molecular Formula:	C19H20O4
Standard InCHIKey:	DTTBDPHYRUIKAU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H20O4/c1-21-11-13-5-4-12-8-14(22-2)6-7-15(12)17-9-18(20)19(23-3)10-16(13)17/h5-10,20H,4,11H2,1-3H3
Canonical SMILES:	COCC1=CCc2c(c3c1cc(OC)c(c3)O)ccc(c2)OC
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Reference
NPO8035	Tylophora tanakae	Species	Apocynaceae	Eukaryota		UNPD*
NPO12436	Quercus imbricaria	Species	Fagaceae	Eukaryota		UNPD*
NPO11699	Ecballium elaterium	Species	Cucurbitaceae	Eukaryota		UNPD*
NPO7045	Viviparus japonicus	Species	Viviparidae	Eukaryota		UNPD*
NPO20291	Phyllanthus oligospermus	Species	Phyllanthaceae	Eukaryota		UNPD*
NPO11553	Phebalium dentatum	Species	Rutaceae	Eukaryota		UNPD*
NPO12888	Echinus microtuberculatus	Species	Echinidae	Eukaryota		UNPD*
NPO761	Fagus fusca	Species	Fagaceae	Eukaryota		UNPD*
NPO4493	Polygonum flaccidum	Species	Polygonaceae	Eukaryota		UNPD*
NPO8477	Myristica cagayanensis	Species	Myristicaceae	Eukaryota		UNPD*
NPO12188	Datisca glomerata	Species	Datiscaceae	Eukaryota		UNPD*
NPO9672	Lotus ucrainicus	Species	Fabaceae	Eukaryota		UNPD*
NPO9922	Myelobia smerintha	Species	Crambidae	Eukaryota		UNPD*
NPO5384	Ligustrum obtusifolium	Species	Oleaceae	Eukaryota		UNPD*
NPO5823	Helichrysum auriceps	Species	Asteraceae	Eukaryota		UNPD*
NPO15252	Clathria prolifera	Species	Microcionidae	Eukaryota		UNPD*
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota	Leaves	PMID[23025417]
NPO11256	Pseudowintera colorata	Species	Winteraceae	Eukaryota		UNPD*
NPO10900	Cinnamomum subavenium	Species	Lauraceae	Eukaryota		UNPD*
NPO2608	Solanum andigena	Species	Solanaceae	Eukaryota		UNPD*
NPO4138	Betula platyphylla	Species	Betulaceae	Eukaryota		UNPD*
NPO12669	Cassine papillosa	Species	Celastraceae	Eukaryota		UNPD*
NPO3378	Alstonia undulifolia	Species	Apocynaceae	Eukaryota		UNPD*
NPO12544	Dioscorea olfersiana	Species	Dioscoreaceae	Eukaryota		UNPD*
NPO7709	Spiracantha cornifolia	Species	Asteraceae	Eukaryota		UNPD*
NPO10393	Ophidiaster ophidianus	Species	Ophidiasteridae	Eukaryota		UNPD*
NPO6253	Conus pulicarius	Species	Conidae	Eukaryota		UNPD*
NPO9509	Charpentiera obovata	Species	Amaranthaceae	Eukaryota		UNPD*
NPO1182	Croton montevidensis	Species	Euphorbiaceae	Eukaryota		UNPD*
NPO11811	Capparis ovata	Species	Capparaceae	Eukaryota		UNPD*
NPO10737	Asteriscus aquaticus	Species	Asteraceae	Eukaryota		UNPD*
NPO12308	Metridium senile	Species	Metridiidae	Eukaryota		UNPD*
NPO9305	Iotrochota purpurea	Species	Iotrochotidae	Eukaryota		UNPD*
NPO5008	Hubertia tomentosa	Species	Asteraceae	Eukaryota		UNPD*
NPO2298	Streptomyces platensis	Species	Streptomycetaceae	Bacteria		UNPD*
NPO3736	Scrophularia koelzii	Species	Scrophulariaceae	Eukaryota		UNPD*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	117700	nM	23025417

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 NPC106511 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	254
0.1-0.2	1151
0.2-0.3	2367
0.3-0.4	7547
0.4-0.5	5939
0.5-0.6	2696
0.6-0.7	6399
0.7-0.8	3488
0.8-0.85	660
0.85-0.9	322
0.9-0.95	66
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.937	High Similarity	NPC32778
0.935	High Similarity	NPC148627
0.9344	High Similarity	NPC471693
0.92	High Similarity	NPC118533
0.92	High Similarity	NPC5428
0.92	High Similarity	NPC165045
0.92	High Similarity	NPC21563
0.9174	High Similarity	NPC117780
0.9174	High Similarity	NPC227217
0.9174	High Similarity	NPC95614
0.9174	High Similarity	NPC232316
0.9174	High Similarity	NPC165133
0.9174	High Similarity	NPC56214
0.9174	High Similarity	NPC242885
0.9167	High Similarity	NPC470626
0.9141	High Similarity	NPC97316
0.9134	High Similarity	NPC143483
0.9134	High Similarity	NPC126836
0.9127	High Similarity	NPC21867
0.9127	High Similarity	NPC472968
0.9127	High Similarity	NPC45774
0.9127	High Similarity	NPC11258
0.9127	High Similarity	NPC128208
0.9127	High Similarity	NPC129570
0.9127	High Similarity	NPC184733
0.9127	High Similarity	NPC282703
0.9106	High Similarity	NPC85488
0.9098	High Similarity	NPC207613
0.9091	High Similarity	NPC310338
0.9091	High Similarity	NPC281298
0.9083	High Similarity	NPC293619
0.9048	High Similarity	NPC127587
0.904	High Similarity	NPC472093
0.904	High Similarity	NPC266705
0.904	High Similarity	NPC251855
0.904	High Similarity	NPC17943
0.904	High Similarity	NPC194519
0.904	High Similarity	NPC221077
0.904	High Similarity	NPC475169
0.904	High Similarity	NPC57490
0.904	High Similarity	NPC203133
0.904	High Similarity	NPC228771
0.904	High Similarity	NPC233410
0.904	High Similarity	NPC208950
0.904	High Similarity	NPC193544
0.904	High Similarity	NPC298757
0.904	High Similarity	NPC29008
0.904	High Similarity	NPC9067
0.904	High Similarity	NPC116907
0.904	High Similarity	NPC117214
0.9032	High Similarity	NPC280704
0.9032	High Similarity	NPC31344
0.9032	High Similarity	NPC317769
0.9024	High Similarity	NPC160380
0.9024	High Similarity	NPC473853
0.9024	High Similarity	NPC38996
0.9024	High Similarity	NPC113865
0.9024	High Similarity	NPC312675
0.9024	High Similarity	NPC343720
0.9024	High Similarity	NPC54872
0.9024	High Similarity	NPC470212
0.9024	High Similarity	NPC324571
0.9024	High Similarity	NPC262156
0.9024	High Similarity	NPC184651
0.9	High Similarity	NPC311256
0.9	High Similarity	NPC471942
0.8992	High Similarity	NPC228843
0.8984	High Similarity	NPC42300
0.8984	High Similarity	NPC92164
0.8984	High Similarity	NPC257582
0.8984	High Similarity	NPC153739
0.8984	High Similarity	NPC242807
0.8984	High Similarity	NPC64201
0.8984	High Similarity	NPC145305
0.8984	High Similarity	NPC241522
0.8984	High Similarity	NPC187998
0.8984	High Similarity	NPC77040
0.8984	High Similarity	NPC174495
0.8976	High Similarity	NPC245826
0.8976	High Similarity	NPC474178
0.8976	High Similarity	NPC307050
0.8976	High Similarity	NPC98631
0.8976	High Similarity	NPC206615
0.8976	High Similarity	NPC186843
0.8976	High Similarity	NPC154866
0.8976	High Similarity	NPC252307
0.8976	High Similarity	NPC277458
0.8976	High Similarity	NPC470213
0.8968	High Similarity	NPC191037
0.8968	High Similarity	NPC76451
0.8968	High Similarity	NPC178284
0.8968	High Similarity	NPC58607
0.896	High Similarity	NPC5796
0.896	High Similarity	NPC206487
0.8955	High Similarity	NPC48309
0.8931	High Similarity	NPC158142
0.8931	High Similarity	NPC294884
0.8931	High Similarity	NPC200557
0.8931	High Similarity	NPC108198
0.8931	High Similarity	NPC10314
0.8931	High Similarity	NPC69029
0.8923	High Similarity	NPC170185
0.8915	High Similarity	NPC27843
0.8915	High Similarity	NPC115207
0.8915	High Similarity	NPC277804
0.8915	High Similarity	NPC161557
0.8915	High Similarity	NPC7171
0.8915	High Similarity	NPC228346
0.8915	High Similarity	NPC474017
0.8915	High Similarity	NPC40432
0.8915	High Similarity	NPC158079
0.8906	High Similarity	NPC475875
0.8906	High Similarity	NPC476968
0.8906	High Similarity	NPC170844
0.8898	High Similarity	NPC292056
0.8898	High Similarity	NPC169474
0.8898	High Similarity	NPC183181
0.8898	High Similarity	NPC111247
0.8898	High Similarity	NPC319625
0.8898	High Similarity	NPC324112
0.8898	High Similarity	NPC118787
0.8898	High Similarity	NPC74817
0.8898	High Similarity	NPC159968
0.8898	High Similarity	NPC82679
0.8898	High Similarity	NPC124452
0.8898	High Similarity	NPC41706
0.8898	High Similarity	NPC163332
0.8898	High Similarity	NPC282000
0.8898	High Similarity	NPC246620
0.8898	High Similarity	NPC293054
0.8898	High Similarity	NPC236791
0.8898	High Similarity	NPC147821
0.8898	High Similarity	NPC266555
0.888	High Similarity	NPC233526
0.888	High Similarity	NPC136319
0.888	High Similarity	NPC282496
0.888	High Similarity	NPC228922
0.888	High Similarity	NPC84086
0.888	High Similarity	NPC197757
0.8864	High Similarity	NPC143139
0.8864	High Similarity	NPC133025
0.8864	High Similarity	NPC202846
0.8855	High Similarity	NPC206737
0.8855	High Similarity	NPC555
0.8855	High Similarity	NPC289258
0.8855	High Similarity	NPC7515
0.8855	High Similarity	NPC56764
0.8855	High Similarity	NPC125649
0.8855	High Similarity	NPC469659
0.8855	High Similarity	NPC188378
0.8855	High Similarity	NPC276026
0.8852	High Similarity	NPC255675
0.8852	High Similarity	NPC474040
0.8846	High Similarity	NPC161958
0.8846	High Similarity	NPC181049
0.8846	High Similarity	NPC14224
0.8846	High Similarity	NPC4940
0.8846	High Similarity	NPC207400
0.8846	High Similarity	NPC471505
0.8843	High Similarity	NPC221049
0.8828	High Similarity	NPC470084
0.8819	High Similarity	NPC214406
0.8819	High Similarity	NPC44748
0.8819	High Similarity	NPC18924
0.8819	High Similarity	NPC78974
0.8819	High Similarity	NPC223136
0.8819	High Similarity	NPC103823
0.8819	High Similarity	NPC223953
0.8819	High Similarity	NPC28730
0.881	High Similarity	NPC293701
0.881	High Similarity	NPC48990
0.881	High Similarity	NPC109822
0.881	High Similarity	NPC114901
0.881	High Similarity	NPC94276
0.88	High Similarity	NPC262253
0.88	High Similarity	NPC41562
0.88	High Similarity	NPC473411
0.88	High Similarity	NPC30462
0.88	High Similarity	NPC71579
0.88	High Similarity	NPC71090
0.8797	High Similarity	NPC86605
0.8797	High Similarity	NPC242715
0.8797	High Similarity	NPC46277
0.8797	High Similarity	NPC3072
0.8797	High Similarity	NPC301765
0.8797	High Similarity	NPC156948
0.8797	High Similarity	NPC56329
0.8788	High Similarity	NPC180602
0.8788	High Similarity	NPC55239
0.8788	High Similarity	NPC214853
0.8788	High Similarity	NPC241241
0.8788	High Similarity	NPC240279
0.8788	High Similarity	NPC256262
0.8788	High Similarity	NPC313081
0.878	High Similarity	NPC311595
0.878	High Similarity	NPC181969
0.878	High Similarity	NPC24474
0.878	High Similarity	NPC320987
0.8779	High Similarity	NPC158331
0.877	High Similarity	NPC164386

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC106511 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	251
0.1-0.2	914
0.2-0.3	1365
0.3-0.4	2717
0.4-0.5	1922
0.5-0.6	1055
0.6-0.7	736
0.7-0.8	186
0.8-0.85	12
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8906	High Similarity	NPD3027	Phase 3
0.8595	High Similarity	NPD5283	Phase 1
0.8583	High Similarity	NPD228	Approved
0.8295	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.8284	Intermediate Similarity	NPD3620	Phase 2
0.8284	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.8264	Intermediate Similarity	NPD3022	Approved
0.8264	Intermediate Similarity	NPD3021	Approved
0.8148	Intermediate Similarity	NPD1613	Approved
0.8148	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.814	Intermediate Similarity	NPD3705	Approved
0.812	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8045	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8015	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.8015	Intermediate Similarity	NPD4060	Phase 1
0.7883	Intermediate Similarity	NPD1558	Phase 1
0.7879	Intermediate Similarity	NPD2982	Phase 2
0.7879	Intermediate Similarity	NPD2983	Phase 2
0.7868	Intermediate Similarity	NPD5111	Phase 2
0.7868	Intermediate Similarity	NPD5109	Approved
0.7868	Intermediate Similarity	NPD5110	Phase 2
0.7803	Intermediate Similarity	NPD2981	Phase 2
0.7778	Intermediate Similarity	NPD2861	Phase 2
0.7778	Intermediate Similarity	NPD3018	Phase 2
0.7752	Intermediate Similarity	NPD5536	Phase 2
0.7742	Intermediate Similarity	NPD2684	Approved
0.7734	Intermediate Similarity	NPD7157	Approved
0.7721	Intermediate Similarity	NPD4908	Phase 1
0.7692	Intermediate Similarity	NPD3060	Approved
0.7676	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7664	Intermediate Similarity	NPD4625	Phase 3
0.7638	Intermediate Similarity	NPD7843	Approved
0.7634	Intermediate Similarity	NPD1357	Approved
0.7619	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7609	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD1610	Phase 2
0.7569	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7554	Intermediate Similarity	NPD2674	Phase 3
0.7532	Intermediate Similarity	NPD6234	Discontinued
0.7521	Intermediate Similarity	NPD3020	Approved
0.75	Intermediate Similarity	NPD1651	Approved
0.7483	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD1669	Approved
0.7467	Intermediate Similarity	NPD4005	Discontinued
0.7466	Intermediate Similarity	NPD5241	Discontinued
0.7448	Intermediate Similarity	NPD4237	Approved
0.7448	Intermediate Similarity	NPD4236	Phase 3
0.7448	Intermediate Similarity	NPD6674	Discontinued
0.7447	Intermediate Similarity	NPD3657	Discovery
0.7447	Intermediate Similarity	NPD5735	Approved
0.7445	Intermediate Similarity	NPD6584	Phase 3
0.7444	Intermediate Similarity	NPD4626	Approved
0.7434	Intermediate Similarity	NPD37	Approved
0.7434	Intermediate Similarity	NPD1934	Approved
0.7431	Intermediate Similarity	NPD7266	Discontinued
0.7426	Intermediate Similarity	NPD8651	Approved
0.7426	Intermediate Similarity	NPD1283	Approved
0.7424	Intermediate Similarity	NPD1548	Phase 1
0.7417	Intermediate Similarity	NPD2860	Approved
0.7417	Intermediate Similarity	NPD2859	Approved
0.741	Intermediate Similarity	NPD7095	Approved
0.7391	Intermediate Similarity	NPD9494	Approved
0.7357	Intermediate Similarity	NPD3144	Approved
0.7357	Intermediate Similarity	NPD3145	Approved
0.7347	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD2677	Approved
0.7338	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD2933	Approved
0.7333	Intermediate Similarity	NPD2934	Approved
0.7333	Intermediate Similarity	NPD3092	Approved
0.7333	Intermediate Similarity	NPD9296	Approved
0.7328	Intermediate Similarity	NPD6671	Approved
0.7328	Intermediate Similarity	NPD709	Approved
0.7319	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD4624	Approved
0.7315	Intermediate Similarity	NPD4123	Phase 3
0.7313	Intermediate Similarity	NPD5846	Approved
0.7313	Intermediate Similarity	NPD6516	Phase 2
0.731	Intermediate Similarity	NPD5762	Approved
0.731	Intermediate Similarity	NPD5763	Approved
0.731	Intermediate Similarity	NPD1375	Discontinued
0.7302	Intermediate Similarity	NPD968	Approved
0.729	Intermediate Similarity	NPD4966	Approved
0.729	Intermediate Similarity	NPD4967	Phase 2
0.729	Intermediate Similarity	NPD3882	Suspended
0.729	Intermediate Similarity	NPD4965	Approved
0.7279	Intermediate Similarity	NPD4628	Phase 3
0.7279	Intermediate Similarity	NPD4110	Phase 3
0.7279	Intermediate Similarity	NPD6331	Phase 2
0.7279	Intermediate Similarity	NPD2232	Approved
0.7279	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD2233	Approved
0.7279	Intermediate Similarity	NPD2230	Approved
0.7279	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD6232	Discontinued
0.7273	Intermediate Similarity	NPD2977	Approved
0.7273	Intermediate Similarity	NPD2801	Approved
0.7273	Intermediate Similarity	NPD2978	Approved
0.7273	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD5451	Approved
0.726	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD2808	Discontinued
0.7254	Intermediate Similarity	NPD2238	Phase 2
0.7254	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD3094	Phase 2
0.7244	Intermediate Similarity	NPD4055	Discovery
0.7239	Intermediate Similarity	NPD5691	Approved
0.7226	Intermediate Similarity	NPD6583	Phase 3
0.7226	Intermediate Similarity	NPD4749	Approved
0.7226	Intermediate Similarity	NPD2563	Approved
0.7226	Intermediate Similarity	NPD2560	Approved
0.7226	Intermediate Similarity	NPD6582	Phase 2
0.7226	Intermediate Similarity	NPD5327	Phase 3
0.7222	Intermediate Similarity	NPD6896	Approved
0.7222	Intermediate Similarity	NPD6895	Approved
0.7222	Intermediate Similarity	NPD4538	Approved
0.7222	Intermediate Similarity	NPD4536	Approved
0.7222	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD7199	Phase 2
0.7211	Intermediate Similarity	NPD4162	Approved
0.7206	Intermediate Similarity	NPD1281	Approved
0.7205	Intermediate Similarity	NPD7228	Approved
0.7203	Intermediate Similarity	NPD6355	Discontinued
0.72	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD3540	Phase 1
0.7185	Intermediate Similarity	NPD2668	Approved
0.7185	Intermediate Similarity	NPD2667	Approved
0.7181	Intermediate Similarity	NPD7124	Phase 2
0.7174	Intermediate Similarity	NPD2922	Phase 1
0.7174	Intermediate Similarity	NPD6696	Suspended
0.7172	Intermediate Similarity	NPD4108	Discontinued
0.7172	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD3091	Approved
0.7153	Intermediate Similarity	NPD1608	Approved
0.7143	Intermediate Similarity	NPD7473	Discontinued
0.7133	Intermediate Similarity	NPD4140	Approved
0.7133	Intermediate Similarity	NPD4357	Discontinued
0.7133	Intermediate Similarity	NPD2979	Phase 3
0.7132	Intermediate Similarity	NPD3847	Discontinued
0.7125	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD2438	Suspended
0.7123	Intermediate Similarity	NPD3539	Phase 1
0.7123	Intermediate Similarity	NPD2161	Phase 2
0.7113	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD5718	Phase 2
0.7113	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD6798	Discontinued
0.7111	Intermediate Similarity	NPD3445	Approved
0.7111	Intermediate Similarity	NPD3443	Approved
0.7111	Intermediate Similarity	NPD3444	Approved
0.7109	Intermediate Similarity	NPD290	Approved
0.7099	Intermediate Similarity	NPD5535	Approved
0.7099	Intermediate Similarity	NPD7635	Approved
0.7095	Intermediate Similarity	NPD5177	Phase 3
0.7083	Intermediate Similarity	NPD4340	Discontinued
0.7081	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD27	Approved
0.7081	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD6166	Phase 2
0.7081	Intermediate Similarity	NPD2489	Approved
0.708	Intermediate Similarity	NPD1091	Approved
0.7078	Intermediate Similarity	NPD4675	Approved
0.7078	Intermediate Similarity	NPD4678	Approved
0.707	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7066	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1653	Approved
0.7055	Intermediate Similarity	NPD5960	Phase 3
0.7055	Intermediate Similarity	NPD2154	Approved
0.7055	Intermediate Similarity	NPD5844	Phase 1
0.7055	Intermediate Similarity	NPD2156	Approved
0.7055	Intermediate Similarity	NPD2155	Approved
0.7055	Intermediate Similarity	NPD5588	Approved
0.7051	Intermediate Similarity	NPD1465	Phase 2
0.7051	Intermediate Similarity	NPD6818	Clinical (unspecified phase)
0.7049	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7047	Intermediate Similarity	NPD8166	Discontinued
0.7042	Intermediate Similarity	NPD2669	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD1242	Phase 1
0.7039	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD4097	Suspended
0.7034	Intermediate Similarity	NPD6353	Approved
0.7032	Intermediate Similarity	NPD5089	Approved
0.7032	Intermediate Similarity	NPD5090	Approved
0.7029	Intermediate Similarity	NPD1840	Phase 2
0.7027	Intermediate Similarity	NPD7037	Approved
0.7025	Intermediate Similarity	NPD7833	Phase 2
0.7025	Intermediate Similarity	NPD7831	Phase 2
0.7025	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD1511	Approved
0.702	Intermediate Similarity	NPD7041	Phase 2
0.702	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD2970	Approved
0.7019	Intermediate Similarity	NPD2969	Approved
0.7014	Intermediate Similarity	NPD3062	Approved
0.7014	Intermediate Similarity	NPD3059	Approved
0.7014	Intermediate Similarity	NPD3061	Approved
0.7007	Intermediate Similarity	NPD3496	Discontinued
0.7	Intermediate Similarity	NPD4339	Clinical (unspecified phase)

Structure

CID106511 OpenBabel06191715452D 23 25 0 0 0 0 0 0 0 0999 V2000 1.7184 3.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -3.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 1.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2156 1.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -2.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8807 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 -1.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 0.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 2.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 1.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6128 -1.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8807 -0.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6551 0.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2948 -0.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 -1.6886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2184 3.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -2.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9749 0.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 15 2 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 16 2 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71461983
ChEMBL	CHEMBL2152481
ZINC

Physicochemical Properties

Molecular Weight:	312.14
ALogP:	-0.0107
MLogP:	3.11
XLogP:	2.756
# Rotatable Bonds:	8
Polar Surface Area:	47.92
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	23

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