NPASS Natural Product

Natural Product: NPC233396

Natural Product ID:	NPC233396
Common Name:	4-[(E,3S,5R)-3-Hydroxy-5-Methoxy-7-Phenylhept-6-Enyl]Phenol
IUPAC Name:	4-[(E,3S,5R)-3-hydroxy-5-methoxy-7-phenylhept-6-enyl]phenol
Synonyms:
Molecular Formula:	C20H24O3
Standard InCHIKey:	NIRQKBHHMBICRP-GUERIMHUSA-N
Standard InCHI:	InChI=1S/C20H24O3/c1-23-20(14-10-16-5-3-2-4-6-16)15-19(22)13-9-17-7-11-18(21)12-8-17/h2-8,10-12,14,19-22H,9,13,15H2,1H3/b14-10+/t19-,20-/m0/s1
Canonical SMILES:	CO[C@H](C[C@H](CCc1ccc(cc1)O)O)/C=C/c1ccccc1
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
NPO6836	Alpinia blepharocalyx	Species	Zingiberaceae	Eukaryota	Seeds	Mengha, Yunnan Province, China	1991-AUG	PMID[11277741]

Biological Activity

Activity Type	# Activity
ED50	2

Activity Type	# Activity
Cell Line	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		ED50	>	100	nM	PubChem BioAssay data set
NPT453	Cell Line	HT-1080	Homo sapiens	ED50	>	100	nM	18838581

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 NPC233396 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	155
0.1-0.2	880
0.2-0.3	1906
0.3-0.4	6369
0.4-0.5	7614
0.5-0.6	4785
0.6-0.7	6562
0.7-0.8	2269
0.8-0.85	261
0.85-0.9	65
0.9-0.95	19
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC154899
0.9898	High Similarity	NPC135464
0.9898	High Similarity	NPC92623
0.9588	High Similarity	NPC213730
0.949	High Similarity	NPC91461
0.949	High Similarity	NPC40258
0.949	High Similarity	NPC7686
0.9485	High Similarity	NPC216468
0.9485	High Similarity	NPC78119
0.9485	High Similarity	NPC51333
0.9485	High Similarity	NPC132078
0.9223	High Similarity	NPC474272
0.9175	High Similarity	NPC26244
0.9143	High Similarity	NPC290353
0.9143	High Similarity	NPC153795
0.9143	High Similarity	NPC42911
0.9135	High Similarity	NPC63345
0.9118	High Similarity	NPC113457
0.9082	High Similarity	NPC473388
0.9072	High Similarity	NPC151715
0.9038	High Similarity	NPC306045
0.9038	High Similarity	NPC265211
0.9	High Similarity	NPC294741
0.8969	High Similarity	NPC138117
0.8969	High Similarity	NPC325292
0.8899	High Similarity	NPC476266
0.8879	High Similarity	NPC176730
0.8879	High Similarity	NPC123175
0.8866	High Similarity	NPC45040
0.8807	High Similarity	NPC301651
0.8807	High Similarity	NPC473556
0.8788	High Similarity	NPC313650
0.8774	High Similarity	NPC475018
0.8763	High Similarity	NPC300017
0.8762	High Similarity	NPC75440
0.8762	High Similarity	NPC201959
0.8762	High Similarity	NPC262365
0.8713	High Similarity	NPC128723
0.8713	High Similarity	NPC92730
0.87	High Similarity	NPC132271
0.87	High Similarity	NPC292730
0.87	High Similarity	NPC216520
0.87	High Similarity	NPC82664
0.8692	High Similarity	NPC257430
0.8692	High Similarity	NPC179002
0.8692	High Similarity	NPC187583
0.8687	High Similarity	NPC128062
0.8679	High Similarity	NPC62258
0.8679	High Similarity	NPC55617
0.866	High Similarity	NPC123273
0.866	High Similarity	NPC177420
0.866	High Similarity	NPC280347
0.866	High Similarity	NPC242240
0.866	High Similarity	NPC318325
0.8614	High Similarity	NPC474073
0.8614	High Similarity	NPC225464
0.86	High Similarity	NPC274678
0.8598	High Similarity	NPC120982
0.8598	High Similarity	NPC321252
0.8598	High Similarity	NPC183700
0.8598	High Similarity	NPC226401
0.8598	High Similarity	NPC79793
0.8598	High Similarity	NPC252544
0.8598	High Similarity	NPC44732
0.8598	High Similarity	NPC147634
0.8598	High Similarity	NPC174096
0.8571	High Similarity	NPC55561
0.8558	High Similarity	NPC323810
0.8557	High Similarity	NPC104216
0.8557	High Similarity	NPC113460
0.8557	High Similarity	NPC25493
0.8544	High Similarity	NPC471578
0.8544	High Similarity	NPC101025
0.8532	High Similarity	NPC35344
0.8532	High Similarity	NPC141003
0.8529	High Similarity	NPC100870
0.8519	High Similarity	NPC177576
0.8519	High Similarity	NPC308689
0.8509	High Similarity	NPC473853
0.8509	High Similarity	NPC262156
0.8509	High Similarity	NPC184651
0.8509	High Similarity	NPC113865
0.8509	High Similarity	NPC470212
0.8509	High Similarity	NPC324571
0.8509	High Similarity	NPC343720
0.8509	High Similarity	NPC54872
0.8509	High Similarity	NPC312675
0.85	High Similarity	NPC76938
0.8491	Intermediate Similarity	NPC260952
0.8482	Intermediate Similarity	NPC474214
0.8476	Intermediate Similarity	NPC470393
0.8476	Intermediate Similarity	NPC474839
0.8476	Intermediate Similarity	NPC138942
0.8469	Intermediate Similarity	NPC258219
0.8468	Intermediate Similarity	NPC85292
0.8468	Intermediate Similarity	NPC229147
0.8468	Intermediate Similarity	NPC54507
0.8462	Intermediate Similarity	NPC168829
0.8462	Intermediate Similarity	NPC62351
0.8455	Intermediate Similarity	NPC12656
0.8455	Intermediate Similarity	NPC473137
0.8454	Intermediate Similarity	NPC23167
0.844	Intermediate Similarity	NPC228425
0.8421	Intermediate Similarity	NPC207613
0.8416	Intermediate Similarity	NPC32714
0.8411	Intermediate Similarity	NPC63698
0.8411	Intermediate Similarity	NPC206341
0.8411	Intermediate Similarity	NPC61885
0.8411	Intermediate Similarity	NPC317305
0.8407	Intermediate Similarity	NPC474320
0.8407	Intermediate Similarity	NPC470215
0.8407	Intermediate Similarity	NPC470214
0.8407	Intermediate Similarity	NPC109371
0.8393	Intermediate Similarity	NPC474933
0.8384	Intermediate Similarity	NPC300478
0.8381	Intermediate Similarity	NPC8931
0.8381	Intermediate Similarity	NPC12987
0.8381	Intermediate Similarity	NPC474603
0.8381	Intermediate Similarity	NPC38079
0.8381	Intermediate Similarity	NPC288411
0.8381	Intermediate Similarity	NPC108875
0.8381	Intermediate Similarity	NPC119860
0.8381	Intermediate Similarity	NPC261573
0.8381	Intermediate Similarity	NPC120693
0.8378	Intermediate Similarity	NPC464
0.8378	Intermediate Similarity	NPC185541
0.8378	Intermediate Similarity	NPC23402
0.8351	Intermediate Similarity	NPC197783
0.835	Intermediate Similarity	NPC171843
0.8349	Intermediate Similarity	NPC139946
0.8319	Intermediate Similarity	NPC86198
0.8319	Intermediate Similarity	NPC131118
0.8318	Intermediate Similarity	NPC251306
0.8318	Intermediate Similarity	NPC305603
0.8318	Intermediate Similarity	NPC61033
0.8317	Intermediate Similarity	NPC316301
0.8317	Intermediate Similarity	NPC27323
0.8304	Intermediate Similarity	NPC141090
0.83	Intermediate Similarity	NPC270547
0.83	Intermediate Similarity	NPC304541
0.8288	Intermediate Similarity	NPC120280
0.8288	Intermediate Similarity	NPC285350
0.8286	Intermediate Similarity	NPC135784
0.8286	Intermediate Similarity	NPC305205
0.8286	Intermediate Similarity	NPC192596
0.8283	Intermediate Similarity	NPC98772
0.8276	Intermediate Similarity	NPC174977
0.8276	Intermediate Similarity	NPC36016
0.8276	Intermediate Similarity	NPC100099
0.8273	Intermediate Similarity	NPC228452
0.8265	Intermediate Similarity	NPC184169
0.8252	Intermediate Similarity	NPC201967
0.8247	Intermediate Similarity	NPC248817
0.8247	Intermediate Similarity	NPC175313
0.8246	Intermediate Similarity	NPC311595
0.8246	Intermediate Similarity	NPC163036
0.8246	Intermediate Similarity	NPC24474
0.8246	Intermediate Similarity	NPC70084
0.8241	Intermediate Similarity	NPC11554
0.823	Intermediate Similarity	NPC175799
0.823	Intermediate Similarity	NPC200988
0.823	Intermediate Similarity	NPC610
0.823	Intermediate Similarity	NPC164386
0.823	Intermediate Similarity	NPC145023
0.8224	Intermediate Similarity	NPC188677
0.8224	Intermediate Similarity	NPC271274
0.822	Intermediate Similarity	NPC81641
0.8218	Intermediate Similarity	NPC94139
0.8218	Intermediate Similarity	NPC271440
0.8218	Intermediate Similarity	NPC306884
0.8218	Intermediate Similarity	NPC147284
0.8218	Intermediate Similarity	NPC162314
0.8218	Intermediate Similarity	NPC3358
0.8218	Intermediate Similarity	NPC210497
0.8214	Intermediate Similarity	NPC232165
0.8214	Intermediate Similarity	NPC53906
0.8208	Intermediate Similarity	NPC241891
0.8208	Intermediate Similarity	NPC30506
0.8205	Intermediate Similarity	NPC473451
0.8205	Intermediate Similarity	NPC471693
0.8205	Intermediate Similarity	NPC474160
0.8205	Intermediate Similarity	NPC76465
0.8205	Intermediate Similarity	NPC280704
0.8205	Intermediate Similarity	NPC38761
0.82	Intermediate Similarity	NPC47950
0.82	Intermediate Similarity	NPC192
0.819	Intermediate Similarity	NPC127389
0.819	Intermediate Similarity	NPC51633
0.819	Intermediate Similarity	NPC300166
0.819	Intermediate Similarity	NPC290451
0.8182	Intermediate Similarity	NPC4493
0.8182	Intermediate Similarity	NPC165770
0.8182	Intermediate Similarity	NPC225679
0.8182	Intermediate Similarity	NPC476632
0.8174	Intermediate Similarity	NPC223451
0.8173	Intermediate Similarity	NPC130193
0.8165	Intermediate Similarity	NPC228343
0.8165	Intermediate Similarity	NPC471954
0.8165	Intermediate Similarity	NPC254833
0.8165	Intermediate Similarity	NPC79543

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC233396 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	182
0.1-0.2	809
0.2-0.3	1077
0.3-0.4	2432
0.4-0.5	2339
0.5-0.6	1296
0.6-0.7	814
0.7-0.8	196
0.8-0.85	11
0.85-0.9	1
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9175	High Similarity	NPD2859	Approved
0.9175	High Similarity	NPD2860	Approved
0.9072	High Similarity	NPD2933	Approved
0.9072	High Similarity	NPD2934	Approved
0.89	High Similarity	NPD3020	Approved
0.8317	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.8241	Intermediate Similarity	NPD2684	Approved
0.819	Intermediate Similarity	NPD846	Approved
0.819	Intermediate Similarity	NPD940	Approved
0.8165	Intermediate Similarity	NPD3022	Approved
0.8165	Intermediate Similarity	NPD3021	Approved
0.8144	Intermediate Similarity	NPD111	Approved
0.8056	Intermediate Similarity	NPD968	Approved
0.8017	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD3091	Approved
0.8	Intermediate Similarity	NPD5451	Approved
0.7951	Intermediate Similarity	NPD3027	Phase 3
0.7946	Intermediate Similarity	NPD7843	Approved
0.7925	Intermediate Similarity	NPD1242	Phase 1
0.7925	Intermediate Similarity	NPD3028	Approved
0.7899	Intermediate Similarity	NPD6583	Phase 3
0.7899	Intermediate Similarity	NPD6582	Phase 2
0.7885	Intermediate Similarity	NPD844	Approved
0.7885	Intermediate Similarity	NPD1809	Phase 2
0.7864	Intermediate Similarity	NPD845	Approved
0.7845	Intermediate Similarity	NPD1548	Phase 1
0.7818	Intermediate Similarity	NPD290	Approved
0.775	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD4659	Approved
0.7739	Intermediate Similarity	NPD7157	Approved
0.7731	Intermediate Similarity	NPD3092	Approved
0.7731	Intermediate Similarity	NPD1610	Phase 2
0.7724	Intermediate Similarity	NPD4908	Phase 1
0.7719	Intermediate Similarity	NPD2234	Approved
0.7719	Intermediate Similarity	NPD5283	Phase 1
0.7719	Intermediate Similarity	NPD2229	Approved
0.7719	Intermediate Similarity	NPD2228	Approved
0.7712	Intermediate Similarity	NPD5846	Approved
0.7712	Intermediate Similarity	NPD6516	Phase 2
0.7705	Intermediate Similarity	NPD6584	Phase 3
0.7699	Intermediate Similarity	NPD228	Approved
0.7679	Intermediate Similarity	NPD9380	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD2562	Approved
0.7667	Intermediate Similarity	NPD2561	Approved
0.7647	Intermediate Similarity	NPD3847	Discontinued
0.7642	Intermediate Similarity	NPD288	Approved
0.7642	Intermediate Similarity	NPD2861	Phase 2
0.7632	Intermediate Similarity	NPD5535	Approved
0.7632	Intermediate Similarity	NPD821	Approved
0.7623	Intermediate Similarity	NPD4103	Phase 2
0.7623	Intermediate Similarity	NPD4104	Clinical (unspecified phase)
0.7623	Intermediate Similarity	NPD3094	Phase 2
0.76	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7593	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD6671	Approved
0.7565	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD3095	Discontinued
0.7563	Intermediate Similarity	NPD2668	Approved
0.7563	Intermediate Similarity	NPD2667	Approved
0.7544	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7522	Intermediate Similarity	NPD4750	Phase 3
0.7521	Intermediate Similarity	NPD3596	Phase 2
0.7478	Intermediate Similarity	NPD7635	Approved
0.7459	Intermediate Similarity	NPD3685	Discontinued
0.7458	Intermediate Similarity	NPD16	Approved
0.7458	Intermediate Similarity	NPD856	Approved
0.7455	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7411	Intermediate Similarity	NPD3134	Approved
0.7402	Intermediate Similarity	NPD6405	Approved
0.7402	Intermediate Similarity	NPD6407	Approved
0.7395	Intermediate Similarity	NPD6580	Approved
0.7395	Intermediate Similarity	NPD6581	Approved
0.7395	Intermediate Similarity	NPD1894	Discontinued
0.7395	Intermediate Similarity	NPD5304	Approved
0.7395	Intermediate Similarity	NPD5303	Approved
0.7387	Intermediate Similarity	NPD9610	Approved
0.7387	Intermediate Similarity	NPD9608	Approved
0.7377	Intermediate Similarity	NPD2231	Phase 2
0.7377	Intermediate Similarity	NPD2235	Phase 2
0.7368	Intermediate Similarity	NPD1792	Phase 2
0.7364	Intermediate Similarity	NPD3052	Approved
0.7364	Intermediate Similarity	NPD3054	Approved
0.736	Intermediate Similarity	NPD5736	Approved
0.7355	Intermediate Similarity	NPD3421	Phase 3
0.7345	Intermediate Similarity	NPD2342	Discontinued
0.7344	Intermediate Similarity	NPD1613	Approved
0.7344	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD4060	Phase 1
0.7344	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD2238	Phase 2
0.7344	Intermediate Similarity	NPD3620	Phase 2
0.7333	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD4093	Discontinued
0.7333	Intermediate Similarity	NPD1357	Approved
0.7323	Intermediate Similarity	NPD3056	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD6798	Discontinued
0.732	Intermediate Similarity	NPD9294	Approved
0.7317	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD318	Approved
0.7311	Intermediate Similarity	NPD317	Approved
0.7308	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD4538	Approved
0.7308	Intermediate Similarity	NPD4536	Approved
0.7288	Intermediate Similarity	NPD2557	Approved
0.728	Intermediate Similarity	NPD3690	Phase 2
0.728	Intermediate Similarity	NPD3691	Phase 2
0.7273	Intermediate Similarity	NPD2555	Approved
0.7273	Intermediate Similarity	NPD7266	Discontinued
0.7273	Intermediate Similarity	NPD4589	Approved
0.7273	Intermediate Similarity	NPD2550	Approved
0.7273	Intermediate Similarity	NPD2558	Approved
0.7273	Intermediate Similarity	NPD4059	Approved
0.7273	Intermediate Similarity	NPD2552	Approved
0.7273	Intermediate Similarity	NPD3019	Approved
0.7273	Intermediate Similarity	NPD2932	Approved
0.7273	Intermediate Similarity	NPD2553	Approved
0.7273	Intermediate Similarity	NPD4626	Approved
0.7273	Intermediate Similarity	NPD2549	Approved
0.7266	Intermediate Similarity	NPD6233	Phase 2
0.7258	Intermediate Similarity	NPD7258	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD1445	Approved
0.7257	Intermediate Similarity	NPD1444	Approved
0.725	Intermediate Similarity	NPD9545	Approved
0.7236	Intermediate Similarity	NPD2230	Approved
0.7236	Intermediate Similarity	NPD2233	Approved
0.7236	Intermediate Similarity	NPD2232	Approved
0.7209	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD4140	Approved
0.7207	Intermediate Similarity	NPD4189	Approved
0.7207	Intermediate Similarity	NPD4188	Approved
0.7203	Intermediate Similarity	NPD9618	Approved
0.7203	Intermediate Similarity	NPD9614	Approved
0.72	Intermediate Similarity	NPD1131	Approved
0.72	Intermediate Similarity	NPD1135	Approved
0.72	Intermediate Similarity	NPD2797	Approved
0.72	Intermediate Similarity	NPD1134	Approved
0.72	Intermediate Similarity	NPD1129	Approved
0.72	Intermediate Similarity	NPD1133	Approved
0.7193	Intermediate Similarity	NPD1358	Approved
0.719	Intermediate Similarity	NPD1651	Approved
0.7188	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7177	Intermediate Similarity	NPD1669	Approved
0.7177	Intermediate Similarity	NPD5327	Phase 3
0.7176	Intermediate Similarity	NPD3553	Approved
0.7176	Intermediate Similarity	NPD3554	Approved
0.7176	Intermediate Similarity	NPD3555	Approved
0.7176	Intermediate Similarity	NPD3552	Approved
0.7154	Intermediate Similarity	NPD1535	Discovery
0.7154	Intermediate Similarity	NPD422	Phase 1
0.7154	Intermediate Similarity	NPD1091	Approved
0.7154	Intermediate Similarity	NPD5735	Approved
0.7154	Intermediate Similarity	NPD6355	Discontinued
0.7143	Intermediate Similarity	NPD9295	Approved
0.7143	Intermediate Similarity	NPD4624	Approved
0.7143	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD4062	Phase 3
0.7132	Intermediate Similarity	NPD6663	Approved
0.7131	Intermediate Similarity	NPD2286	Discontinued
0.7121	Intermediate Similarity	NPD5960	Phase 3
0.7121	Intermediate Similarity	NPD7033	Discontinued
0.7121	Intermediate Similarity	NPD5588	Approved
0.712	Intermediate Similarity	NPD1283	Approved
0.7119	Intermediate Similarity	NPD1241	Discontinued
0.7109	Intermediate Similarity	NPD4625	Phase 3
0.7109	Intermediate Similarity	NPD5163	Phase 2
0.7109	Intermediate Similarity	NPD6179	Discontinued
0.7107	Intermediate Similarity	NPD7741	Discontinued
0.7099	Intermediate Similarity	NPD2568	Approved
0.7097	Intermediate Similarity	NPD3972	Approved
0.7097	Intermediate Similarity	NPD1481	Phase 2
0.7091	Intermediate Similarity	NPD9273	Approved
0.7083	Intermediate Similarity	NPD9493	Approved
0.708	Intermediate Similarity	NPD3048	Approved
0.708	Intermediate Similarity	NPD3047	Approved
0.708	Intermediate Similarity	NPD1237	Approved
0.708	Intermediate Similarity	NPD3046	Approved
0.7077	Intermediate Similarity	NPD1240	Approved
0.7068	Intermediate Similarity	NPD2935	Discontinued
0.7063	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1476	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7049	Intermediate Similarity	NPD5691	Approved
0.7049	Intermediate Similarity	NPD3444	Approved
0.7049	Intermediate Similarity	NPD3049	Approved
0.7049	Intermediate Similarity	NPD3443	Approved
0.7049	Intermediate Similarity	NPD3445	Approved
0.7045	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7043	Intermediate Similarity	NPD4095	Clinical (unspecified phase)
0.704	Intermediate Similarity	NPD6542	Approved
0.704	Intermediate Similarity	NPD2429	Approved
0.704	Intermediate Similarity	NPD4749	Approved
0.704	Intermediate Similarity	NPD2428	Approved
0.704	Intermediate Similarity	NPD6543	Approved
0.704	Intermediate Similarity	NPD6540	Phase 3
0.704	Intermediate Similarity	NPD6539	Approved
0.7037	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD3060	Approved
0.7031	Intermediate Similarity	NPD1529	Clinical (unspecified phase)

Structure

NPC233396 OpenBabel07101718222D 23 24 0 0 1 0 0 0 0 0999 V2000 1.7321 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 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 1.7321 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 16 2 0 0 0 0 6 16 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 12 2 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 18 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 6 0 0 0 20 14 1 1 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10686571
ChEMBL	CHEMBL478096
ZINC

Physicochemical Properties

Molecular Weight:	312.17
ALogP:	-1.119
MLogP:	3.33
XLogP:	6.355
# Rotatable Bonds:	11
Polar Surface Area:	49.69
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	23

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