NPASS Natural Product

Natural Product: NPC473152

Natural Product ID:	NPC473152
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H24O4
Standard InCHIKey:	OURYNIQELBOZMX-PHXBYCTMSA-N
Standard InCHI:	InChI=1S/C20H24O4/c1-19(2)6-4-7-20(3)15-13(9-14(21)18(19)20)11-24-17(15)16(22)12-5-8-23-10-12/h5,8-10,15,17-18H,4,6-7,11H2,1-3H3/t15-,17-,18+,20-/m1/s1
Canonical SMILES:	O=C1C=C2CO[C@H]([C@@H]2[C@@]2([C@@H]1C(C)(C)CCC2)C)C(=O)c1cocc1
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
NPO32565	hedychium longipetalum	Species	Zingiberaceae	Eukaryota				PMID[26351042]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	2
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	25	ug/ml	22583079
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	7.5	ug/ml	15568778
NPT2	Others	Unspecified		IC50	>	25	ug/ml	14505646

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 NPC473152 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	278
0.1-0.2	1161
0.2-0.3	2164
0.3-0.4	4947
0.4-0.5	8578
0.5-0.6	6677
0.6-0.7	5982
0.7-0.8	866
0.8-0.85	206
0.85-0.9	29
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9124	High Similarity	NPC146872
0.8958	High Similarity	NPC10088
0.8857	High Similarity	NPC236532
0.8811	High Similarity	NPC470741
0.8811	High Similarity	NPC223415
0.8777	High Similarity	NPC158525
0.8759	High Similarity	NPC276676
0.8732	High Similarity	NPC90296
0.8699	High Similarity	NPC250228
0.8662	High Similarity	NPC90953
0.8652	High Similarity	NPC310830
0.8643	High Similarity	NPC92941
0.8633	High Similarity	NPC470740
0.8592	High Similarity	NPC220094
0.8592	High Similarity	NPC476943
0.8591	High Similarity	NPC240214
0.8582	High Similarity	NPC46896
0.8571	High Similarity	NPC221809
0.8562	High Similarity	NPC191828
0.8552	High Similarity	NPC243577
0.8552	High Similarity	NPC267632
0.8543	High Similarity	NPC44675
0.8543	High Similarity	NPC214541
0.8523	High Similarity	NPC46551
0.8521	High Similarity	NPC42400
0.8521	High Similarity	NPC470742
0.8506	High Similarity	NPC197596
0.8503	High Similarity	NPC262198
0.8503	High Similarity	NPC470999
0.85	High Similarity	NPC471006
0.8493	Intermediate Similarity	NPC251865
0.8493	Intermediate Similarity	NPC86935
0.8493	Intermediate Similarity	NPC142113
0.8487	Intermediate Similarity	NPC60973
0.8487	Intermediate Similarity	NPC209364
0.8456	Intermediate Similarity	NPC195325
0.8442	Intermediate Similarity	NPC305016
0.8431	Intermediate Similarity	NPC261597
0.8431	Intermediate Similarity	NPC472283
0.8431	Intermediate Similarity	NPC286722
0.8429	Intermediate Similarity	NPC471995
0.8429	Intermediate Similarity	NPC471817
0.8417	Intermediate Similarity	NPC21460
0.8414	Intermediate Similarity	NPC20500
0.8411	Intermediate Similarity	NPC75906
0.84	Intermediate Similarity	NPC159927
0.84	Intermediate Similarity	NPC156189
0.84	Intermediate Similarity	NPC469335
0.8378	Intermediate Similarity	NPC346
0.8377	Intermediate Similarity	NPC477403
0.8377	Intermediate Similarity	NPC475295
0.8377	Intermediate Similarity	NPC473473
0.8366	Intermediate Similarity	NPC107646
0.8366	Intermediate Similarity	NPC263265
0.8357	Intermediate Similarity	NPC298190
0.8356	Intermediate Similarity	NPC52412
0.8355	Intermediate Similarity	NPC57998
0.8345	Intermediate Similarity	NPC67003
0.8344	Intermediate Similarity	NPC18135
0.8344	Intermediate Similarity	NPC272590
0.8344	Intermediate Similarity	NPC116717
0.8333	Intermediate Similarity	NPC663
0.8333	Intermediate Similarity	NPC224394
0.8333	Intermediate Similarity	NPC472654
0.8333	Intermediate Similarity	NPC471001
0.8333	Intermediate Similarity	NPC177262
0.8322	Intermediate Similarity	NPC470941
0.8312	Intermediate Similarity	NPC187149
0.8312	Intermediate Similarity	NPC36655
0.8301	Intermediate Similarity	NPC472786
0.8299	Intermediate Similarity	NPC103134
0.8289	Intermediate Similarity	NPC44577
0.8289	Intermediate Similarity	NPC246164
0.8288	Intermediate Similarity	NPC205765
0.828	Intermediate Similarity	NPC123088
0.8278	Intermediate Similarity	NPC5180
0.8278	Intermediate Similarity	NPC196864
0.8278	Intermediate Similarity	NPC477404
0.8278	Intermediate Similarity	NPC476936
0.8269	Intermediate Similarity	NPC5079
0.8267	Intermediate Similarity	NPC243165
0.8267	Intermediate Similarity	NPC476942
0.8267	Intermediate Similarity	NPC476941
0.8258	Intermediate Similarity	NPC475967
0.8258	Intermediate Similarity	NPC237155
0.8258	Intermediate Similarity	NPC474932
0.8258	Intermediate Similarity	NPC116639
0.8255	Intermediate Similarity	NPC475864
0.8255	Intermediate Similarity	NPC62799
0.8255	Intermediate Similarity	NPC471292
0.8247	Intermediate Similarity	NPC126723
0.8247	Intermediate Similarity	NPC469485
0.8243	Intermediate Similarity	NPC238843
0.8243	Intermediate Similarity	NPC84479
0.8243	Intermediate Similarity	NPC199044
0.8235	Intermediate Similarity	NPC30222
0.8235	Intermediate Similarity	NPC178932
0.8231	Intermediate Similarity	NPC121158
0.8228	Intermediate Similarity	NPC478178
0.8227	Intermediate Similarity	NPC61788
0.8224	Intermediate Similarity	NPC471000
0.8224	Intermediate Similarity	NPC291150
0.8219	Intermediate Similarity	NPC56197
0.8217	Intermediate Similarity	NPC234660
0.8217	Intermediate Similarity	NPC469846
0.8217	Intermediate Similarity	NPC51568
0.8214	Intermediate Similarity	NPC208389
0.8212	Intermediate Similarity	NPC475904
0.8212	Intermediate Similarity	NPC329180
0.8212	Intermediate Similarity	NPC470790
0.8212	Intermediate Similarity	NPC470791
0.8212	Intermediate Similarity	NPC474270
0.8209	Intermediate Similarity	NPC243704
0.8207	Intermediate Similarity	NPC471996
0.8205	Intermediate Similarity	NPC475381
0.8205	Intermediate Similarity	NPC477402
0.8205	Intermediate Similarity	NPC25255
0.8201	Intermediate Similarity	NPC319140
0.8201	Intermediate Similarity	NPC95567
0.82	Intermediate Similarity	NPC476938
0.82	Intermediate Similarity	NPC476937
0.82	Intermediate Similarity	NPC471174
0.82	Intermediate Similarity	NPC224418
0.8194	Intermediate Similarity	NPC173544
0.8194	Intermediate Similarity	NPC470118
0.8194	Intermediate Similarity	NPC249021
0.8188	Intermediate Similarity	NPC195920
0.8188	Intermediate Similarity	NPC179354
0.8188	Intermediate Similarity	NPC185456
0.8182	Intermediate Similarity	NPC281258
0.8182	Intermediate Similarity	NPC469336
0.8182	Intermediate Similarity	NPC469850
0.8182	Intermediate Similarity	NPC35000
0.8182	Intermediate Similarity	NPC264943
0.8176	Intermediate Similarity	NPC476861
0.8176	Intermediate Similarity	NPC478179
0.8176	Intermediate Similarity	NPC476850
0.817	Intermediate Similarity	NPC469503
0.817	Intermediate Similarity	NPC471002
0.8165	Intermediate Similarity	NPC472664
0.8165	Intermediate Similarity	NPC261184
0.8158	Intermediate Similarity	NPC476122
0.8158	Intermediate Similarity	NPC196846
0.8153	Intermediate Similarity	NPC193798
0.8153	Intermediate Similarity	NPC470939
0.8153	Intermediate Similarity	NPC6326
0.8153	Intermediate Similarity	NPC69028
0.8146	Intermediate Similarity	NPC471618
0.8146	Intermediate Similarity	NPC474220
0.8146	Intermediate Similarity	NPC474255
0.8143	Intermediate Similarity	NPC477966
0.8143	Intermediate Similarity	NPC477123
0.8143	Intermediate Similarity	NPC26532
0.8141	Intermediate Similarity	NPC473368
0.8138	Intermediate Similarity	NPC186626
0.8133	Intermediate Similarity	NPC233763
0.8129	Intermediate Similarity	NPC23086
0.8129	Intermediate Similarity	NPC104736
0.8121	Intermediate Similarity	NPC476944
0.8121	Intermediate Similarity	NPC137295
0.8113	Intermediate Similarity	NPC214600
0.8101	Intermediate Similarity	NPC292389
0.8101	Intermediate Similarity	NPC469338
0.8095	Intermediate Similarity	NPC148374
0.8089	Intermediate Similarity	NPC335761
0.8089	Intermediate Similarity	NPC472653
0.8089	Intermediate Similarity	NPC333139
0.8086	Intermediate Similarity	NPC469848
0.8079	Intermediate Similarity	NPC216755
0.8077	Intermediate Similarity	NPC81405
0.8077	Intermediate Similarity	NPC472778
0.8077	Intermediate Similarity	NPC472777
0.8077	Intermediate Similarity	NPC197137
0.8077	Intermediate Similarity	NPC45101
0.8077	Intermediate Similarity	NPC299038
0.8077	Intermediate Similarity	NPC472776
0.8077	Intermediate Similarity	NPC304692
0.8071	Intermediate Similarity	NPC246392
0.8067	Intermediate Similarity	NPC34056
0.8067	Intermediate Similarity	NPC5676
0.8065	Intermediate Similarity	NPC92979
0.8065	Intermediate Similarity	NPC472785
0.8065	Intermediate Similarity	NPC141538
0.8065	Intermediate Similarity	NPC296807
0.8065	Intermediate Similarity	NPC75310
0.8065	Intermediate Similarity	NPC155939
0.8063	Intermediate Similarity	NPC473766
0.8063	Intermediate Similarity	NPC472651
0.8063	Intermediate Similarity	NPC473753
0.806	Intermediate Similarity	NPC45536
0.8056	Intermediate Similarity	NPC200718
0.8054	Intermediate Similarity	NPC205071
0.8054	Intermediate Similarity	NPC80635
0.8052	Intermediate Similarity	NPC268905
0.8052	Intermediate Similarity	NPC476939
0.8052	Intermediate Similarity	NPC476940
0.8052	Intermediate Similarity	NPC470996
0.8052	Intermediate Similarity	NPC476201
0.805	Intermediate Similarity	NPC470940
0.805	Intermediate Similarity	NPC476858

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473152 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	279
0.1-0.2	962
0.2-0.3	1881
0.3-0.4	2818
0.4-0.5	2054
0.5-0.6	902
0.6-0.7	239
0.7-0.8	23
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8089	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.8065	Intermediate Similarity	NPD5760	Phase 2
0.8065	Intermediate Similarity	NPD5761	Phase 2
0.7905	Intermediate Similarity	NPD1471	Phase 3
0.7544	Intermediate Similarity	NPD8434	Phase 2
0.7353	Intermediate Similarity	NPD6765	Approved
0.7353	Intermediate Similarity	NPD6764	Approved
0.7342	Intermediate Similarity	NPD920	Approved
0.7229	Intermediate Similarity	NPD1247	Approved
0.7215	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD2344	Approved
0.7208	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD6599	Discontinued
0.7184	Intermediate Similarity	NPD6784	Approved
0.7184	Intermediate Similarity	NPD6785	Approved
0.7143	Intermediate Similarity	NPD2796	Approved
0.7118	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD2800	Approved
0.7108	Intermediate Similarity	NPD919	Approved
0.7089	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD4628	Phase 3
0.7066	Intermediate Similarity	NPD5494	Approved
0.7055	Intermediate Similarity	NPD3972	Approved
0.7041	Intermediate Similarity	NPD3926	Phase 2
0.7025	Intermediate Similarity	NPD2309	Approved
0.7	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.697	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD6799	Approved
0.6933	Remote Similarity	NPD3226	Approved
0.6913	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD6280	Approved
0.6909	Remote Similarity	NPD6279	Approved
0.6899	Remote Similarity	NPD1243	Approved
0.6886	Remote Similarity	NPD3882	Suspended
0.6871	Remote Similarity	NPD1547	Clinical (unspecified phase)
0.6859	Remote Similarity	NPD2799	Discontinued
0.6849	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD1876	Approved
0.6845	Remote Similarity	NPD7075	Discontinued
0.6807	Remote Similarity	NPD6801	Discontinued
0.6784	Remote Similarity	NPD6808	Phase 2
0.6772	Remote Similarity	NPD2346	Discontinued
0.6766	Remote Similarity	NPD7819	Suspended
0.673	Remote Similarity	NPD1549	Phase 2
0.6726	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6713	Remote Similarity	NPD1241	Discontinued
0.6705	Remote Similarity	NPD2403	Approved
0.6688	Remote Similarity	NPD2313	Discontinued
0.6687	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD2534	Approved
0.6687	Remote Similarity	NPD2532	Approved
0.6687	Remote Similarity	NPD2533	Approved
0.6667	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6832	Phase 2
0.6667	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6559	Discontinued
0.6647	Remote Similarity	NPD3749	Approved
0.6646	Remote Similarity	NPD6273	Approved
0.6645	Remote Similarity	NPD2798	Approved
0.6627	Remote Similarity	NPD5616	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD5402	Approved
0.6627	Remote Similarity	NPD3817	Phase 2
0.6622	Remote Similarity	NPD17	Approved
0.6606	Remote Similarity	NPD5403	Approved
0.6605	Remote Similarity	NPD3887	Approved
0.6604	Remote Similarity	NPD1551	Phase 2
0.6587	Remote Similarity	NPD4380	Phase 2
0.6585	Remote Similarity	NPD5401	Approved
0.6548	Remote Similarity	NPD8404	Phase 2
0.6548	Remote Similarity	NPD7411	Suspended
0.6543	Remote Similarity	NPD4107	Approved
0.6541	Remote Similarity	NPD3748	Approved
0.6541	Remote Similarity	NPD1510	Phase 2
0.6532	Remote Similarity	NPD6959	Discontinued
0.6529	Remote Similarity	NPD2296	Approved
0.6519	Remote Similarity	NPD1607	Approved
0.6519	Remote Similarity	NPD6651	Approved
0.6509	Remote Similarity	NPD1934	Approved
0.6497	Remote Similarity	NPD1240	Approved
0.6497	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD5668	Clinical (unspecified phase)
0.649	Remote Similarity	NPD1608	Approved
0.6485	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6485	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6463	Remote Similarity	NPD7236	Approved
0.646	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.646	Remote Similarity	NPD6004	Phase 3
0.646	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.646	Remote Similarity	NPD6005	Phase 3
0.646	Remote Similarity	NPD6002	Phase 3
0.6458	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD6355	Discontinued
0.6453	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6442	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD3818	Discontinued
0.6433	Remote Similarity	NPD8032	Phase 2
0.6432	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD1019	Discontinued
0.6421	Remote Similarity	NPD4482	Phase 3
0.642	Remote Similarity	NPD4575	Clinical (unspecified phase)
0.642	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.642	Remote Similarity	NPD6166	Phase 2
0.642	Remote Similarity	NPD970	Clinical (unspecified phase)
0.642	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6398	Remote Similarity	NPD6100	Approved
0.6398	Remote Similarity	NPD6099	Approved
0.6392	Remote Similarity	NPD3142	Approved
0.6392	Remote Similarity	NPD3140	Approved
0.6389	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD3057	Approved
0.6384	Remote Similarity	NPD7473	Discontinued
0.6374	Remote Similarity	NPD2801	Approved
0.6358	Remote Similarity	NPD2355	Clinical (unspecified phase)
0.6358	Remote Similarity	NPD2353	Approved
0.6348	Remote Similarity	NPD3751	Discontinued
0.6348	Remote Similarity	NPD7799	Discontinued
0.6348	Remote Similarity	NPD2163	Approved
0.6347	Remote Similarity	NPD1512	Approved
0.6341	Remote Similarity	NPD3750	Approved
0.6339	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6335	Remote Similarity	NPD7033	Discontinued
0.6333	Remote Similarity	NPD5585	Approved
0.6331	Remote Similarity	NPD7458	Discontinued
0.6328	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6319	Remote Similarity	NPD8313	Approved
0.6319	Remote Similarity	NPD8312	Approved
0.6309	Remote Similarity	NPD9092	Discovery
0.6307	Remote Similarity	NPD6232	Discontinued
0.6302	Remote Similarity	NPD2972	Approved
0.6302	Remote Similarity	NPD3533	Approved
0.6301	Remote Similarity	NPD7768	Phase 2
0.6296	Remote Similarity	NPD2935	Discontinued
0.6289	Remote Similarity	NPD2979	Phase 3
0.628	Remote Similarity	NPD2654	Approved
0.6275	Remote Similarity	NPD9717	Approved
0.6272	Remote Similarity	NPD7239	Suspended
0.6266	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6266	Remote Similarity	NPD3764	Approved
0.6264	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6258	Remote Similarity	NPD3267	Approved
0.6258	Remote Similarity	NPD3266	Approved
0.6258	Remote Similarity	NPD5762	Approved
0.6258	Remote Similarity	NPD5763	Approved
0.6258	Remote Similarity	NPD1470	Approved
0.625	Remote Similarity	NPD8127	Discontinued
0.625	Remote Similarity	NPD2182	Approved
0.625	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6243	Remote Similarity	NPD6797	Phase 2
0.6243	Remote Similarity	NPD5953	Discontinued
0.6242	Remote Similarity	NPD7003	Approved
0.6235	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6234	Remote Similarity	NPD5327	Phase 3
0.6228	Remote Similarity	NPD1511	Approved
0.6225	Remote Similarity	NPD1651	Approved
0.6222	Remote Similarity	NPD5844	Phase 1
0.6221	Remote Similarity	NPD6844	Discontinued
0.6218	Remote Similarity	NPD5647	Approved
0.6218	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6216	Remote Similarity	NPD8150	Discontinued
0.6215	Remote Similarity	NPD5711	Approved
0.6215	Remote Similarity	NPD5710	Approved
0.6213	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6213	Remote Similarity	NPD3873	Phase 3
0.6213	Remote Similarity	NPD3869	Phase 3
0.6209	Remote Similarity	NPD7251	Discontinued
0.6205	Remote Similarity	NPD2354	Approved
0.619	Remote Similarity	NPD4661	Approved
0.619	Remote Similarity	NPD4662	Approved
0.6188	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6188	Remote Similarity	NPD4307	Phase 2
0.6184	Remote Similarity	NPD1778	Approved
0.6176	Remote Similarity	NPD7907	Approved
0.6175	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6175	Remote Similarity	NPD7808	Phase 3
0.6164	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD6798	Discontinued
0.6164	Remote Similarity	NPD3268	Approved
0.6159	Remote Similarity	NPD9545	Approved
0.6158	Remote Similarity	NPD4665	Approved
0.6158	Remote Similarity	NPD4111	Phase 1
0.6154	Remote Similarity	NPD1203	Approved
0.615	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6149	Remote Similarity	NPD447	Suspended
0.6149	Remote Similarity	NPD1933	Approved
0.6145	Remote Similarity	NPD7784	Clinical (unspecified phase)
0.6145	Remote Similarity	NPD4110	Phase 3
0.6145	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6141	Remote Similarity	NPD2968	Approved
0.6141	Remote Similarity	NPD2971	Approved
0.6134	Remote Similarity	NPD2491	Approved
0.6133	Remote Similarity	NPD7286	Phase 2
0.6131	Remote Similarity	NPD5676	Approved
0.6131	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6129	Remote Similarity	NPD4359	Approved
0.6125	Remote Similarity	NPD6233	Phase 2
0.6124	Remote Similarity	NPD3787	Discontinued
0.6121	Remote Similarity	NPD4534	Discontinued

Structure

NPC473152 OpenBabel07101718322D 24 27 0 0 1 0 0 0 0 0999 V2000 -1.3660 2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8660 1.5000 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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4425 0.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 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 2.0303 1.1079 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 2.9814 -0.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6581 -2.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0303 -0.5102 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 0.0000 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7213 -1.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 -1.6691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 1 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 0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 -2.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 0.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3364 -2.5827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 8 23 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 18 1 0 0 0 0 14 21 2 0 0 0 0 15 17 1 0 0 0 0 15 20 1 1 0 0 0 16 22 2 0 0 0 0 17 16 1 6 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 1 0 0 0 20 3 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3622816
ZINC

Physicochemical Properties

Molecular Weight:	328.17
ALogP:	-0.0682
MLogP:	3.22
XLogP:	2.992
# Rotatable Bonds:	5
Polar Surface Area:	56.51
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	24

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