NPASS Natural Product

Natural Product: NPC150863

Natural Product ID:	NPC150863
Common Name:	(R,2E,4E)-7-(4-(Dimethylamino)Phenyl)-N,4,6-Trimethyl-7-Oxohepta-2,4-Dienamide
IUPAC Name:	(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N,4,6-trimethyl-7-oxohepta-2,4-dienamide
Synonyms:
Molecular Formula:	C18H24N2O2
Standard InCHIKey:	MOIJZGIUQNRPTH-YCVBRQMHSA-N
Standard InCHI:	InChI=1S/C18H24N2O2/c1-13(6-11-17(21)19-3)12-14(2)18(22)15-7-9-16(10-8-15)20(4)5/h6-12,14H,1-5H3,(H,19,21)/b11-6+,13-12+/t14-/m1/s1
Canonical SMILES:	CN=C(/C=C/C(=C/[C@H](C(=O)c1ccc(cc1)N(C)C)C)/C)O
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
NPO32587	streptomyces sp. cpcc 203909	Species	Streptomycetaceae	Bacteria				PMID[25556102]

Biological Activity

Activity Type	# Activity
EC50	1
IC50	5

Activity Type	# Activity
Cell Line	4
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	23910	nM	15387639
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	8140	nM	24033131
NPT1045	Cell Line	U2OS	Homo sapiens	IC50	>	200000	nM	26848627
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	200000	nM	21397502
NPT2	Others	Unspecified		EC50	=	78830	nM	24725159
NPT65	Cell Line	HepG2	Homo sapiens	IC50	>	200000	nM	PubChem BioAssay data set

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 NPC150863 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	116
0.1-0.2	1323
0.2-0.3	5200
0.3-0.4	10740
0.4-0.5	10030
0.5-0.6	2975
0.6-0.7	455
0.7-0.8	37
0.8-0.85	2
0.85-0.9	5
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9754	High Similarity	NPC472245
0.9754	High Similarity	NPC280807
0.9268	High Similarity	NPC470343
0.9268	High Similarity	NPC472244
0.9127	High Similarity	NPC314431
0.9023	High Similarity	NPC478040
0.8955	High Similarity	NPC314186
0.8939	High Similarity	NPC472243
0.8824	High Similarity	NPC478039
0.878	High Similarity	NPC226143
0.8667	High Similarity	NPC472241
0.8478	Intermediate Similarity	NPC472242
0.8145	Intermediate Similarity	NPC57051
0.7987	Intermediate Similarity	NPC253667
0.7987	Intermediate Similarity	NPC35510
0.7926	Intermediate Similarity	NPC314098
0.7907	Intermediate Similarity	NPC291962
0.7907	Intermediate Similarity	NPC177684
0.7846	Intermediate Similarity	NPC258531
0.7846	Intermediate Similarity	NPC161956
0.7846	Intermediate Similarity	NPC112373
0.7687	Intermediate Similarity	NPC205946
0.7652	Intermediate Similarity	NPC257490
0.7594	Intermediate Similarity	NPC39818
0.7444	Intermediate Similarity	NPC179605
0.7444	Intermediate Similarity	NPC279385
0.7388	Intermediate Similarity	NPC103292
0.7324	Intermediate Similarity	NPC300299
0.731	Intermediate Similarity	NPC471574
0.7292	Intermediate Similarity	NPC83214
0.7246	Intermediate Similarity	NPC322433
0.7226	Intermediate Similarity	NPC27904
0.7226	Intermediate Similarity	NPC192533
0.7214	Intermediate Similarity	NPC194562
0.72	Intermediate Similarity	NPC237649
0.72	Intermediate Similarity	NPC300596
0.7163	Intermediate Similarity	NPC316746
0.7162	Intermediate Similarity	NPC136002
0.7133	Intermediate Similarity	NPC253476
0.7123	Intermediate Similarity	NPC242933
0.7113	Intermediate Similarity	NPC53044
0.7109	Intermediate Similarity	NPC172170
0.7105	Intermediate Similarity	NPC314223
0.708	Intermediate Similarity	NPC268534
0.7075	Intermediate Similarity	NPC316202
0.707	Intermediate Similarity	NPC476231
0.7039	Intermediate Similarity	NPC144691
0.7021	Intermediate Similarity	NPC209389
0.7008	Intermediate Similarity	NPC38262
0.7007	Intermediate Similarity	NPC315051
0.6986	Remote Similarity	NPC287358
0.698	Remote Similarity	NPC314287
0.6959	Remote Similarity	NPC471164
0.6959	Remote Similarity	NPC2823
0.6951	Remote Similarity	NPC474081
0.695	Remote Similarity	NPC476950
0.6934	Remote Similarity	NPC150323
0.6929	Remote Similarity	NPC474926
0.6914	Remote Similarity	NPC318183
0.6906	Remote Similarity	NPC254698
0.6892	Remote Similarity	NPC207554
0.689	Remote Similarity	NPC475607
0.689	Remote Similarity	NPC471743
0.6871	Remote Similarity	NPC122553
0.6848	Remote Similarity	NPC14849
0.6835	Remote Similarity	NPC36495
0.6829	Remote Similarity	NPC248862
0.6829	Remote Similarity	NPC475594
0.6824	Remote Similarity	NPC469560
0.6824	Remote Similarity	NPC319645
0.6812	Remote Similarity	NPC27833
0.681	Remote Similarity	NPC6982
0.6807	Remote Similarity	NPC475761
0.6797	Remote Similarity	NPC202613
0.6797	Remote Similarity	NPC315829
0.6786	Remote Similarity	NPC470317
0.6781	Remote Similarity	NPC316104
0.6781	Remote Similarity	NPC162417
0.677	Remote Similarity	NPC471130
0.6769	Remote Similarity	NPC45033
0.6759	Remote Similarity	NPC207428
0.6759	Remote Similarity	NPC40364
0.675	Remote Similarity	NPC88970
0.6736	Remote Similarity	NPC187231
0.6735	Remote Similarity	NPC173295
0.6733	Remote Similarity	NPC43477
0.6731	Remote Similarity	NPC117032
0.6727	Remote Similarity	NPC328611
0.6721	Remote Similarity	NPC78154
0.6715	Remote Similarity	NPC192209
0.6711	Remote Similarity	NPC470822
0.6709	Remote Similarity	NPC84317
0.6708	Remote Similarity	NPC189116
0.6707	Remote Similarity	NPC147298
0.6707	Remote Similarity	NPC182057
0.6707	Remote Similarity	NPC474041
0.6707	Remote Similarity	NPC131450
0.6692	Remote Similarity	NPC167336
0.6689	Remote Similarity	NPC471123
0.6687	Remote Similarity	NPC474058
0.6667	Remote Similarity	NPC104345
0.6667	Remote Similarity	NPC471317
0.6667	Remote Similarity	NPC220698
0.6647	Remote Similarity	NPC471742
0.6645	Remote Similarity	NPC242000
0.6643	Remote Similarity	NPC314278
0.6625	Remote Similarity	NPC154478
0.6623	Remote Similarity	NPC324445
0.662	Remote Similarity	NPC317758
0.6612	Remote Similarity	NPC473031
0.6606	Remote Similarity	NPC292265
0.6606	Remote Similarity	NPC355
0.6605	Remote Similarity	NPC204867
0.6603	Remote Similarity	NPC473329
0.6601	Remote Similarity	NPC130797
0.66	Remote Similarity	NPC315224
0.6597	Remote Similarity	NPC58827
0.6597	Remote Similarity	NPC307437
0.6597	Remote Similarity	NPC72473
0.6588	Remote Similarity	NPC159125
0.6585	Remote Similarity	NPC70949
0.6582	Remote Similarity	NPC295021
0.6564	Remote Similarity	NPC115232
0.6562	Remote Similarity	NPC211525
0.6562	Remote Similarity	NPC153694
0.6562	Remote Similarity	NPC75496
0.6561	Remote Similarity	NPC154602
0.6554	Remote Similarity	NPC184437
0.6552	Remote Similarity	NPC313293
0.6548	Remote Similarity	NPC157583
0.6547	Remote Similarity	NPC229353
0.6545	Remote Similarity	NPC472118
0.6544	Remote Similarity	NPC187036
0.6543	Remote Similarity	NPC293458
0.6541	Remote Similarity	NPC114808
0.6536	Remote Similarity	NPC308197
0.6527	Remote Similarity	NPC469529
0.6527	Remote Similarity	NPC470548
0.6522	Remote Similarity	NPC193410
0.6522	Remote Similarity	NPC471122
0.6522	Remote Similarity	NPC80681
0.6519	Remote Similarity	NPC285381
0.6516	Remote Similarity	NPC259678
0.6516	Remote Similarity	NPC470579
0.6515	Remote Similarity	NPC471447
0.6503	Remote Similarity	NPC271797
0.6503	Remote Similarity	NPC21174
0.6503	Remote Similarity	NPC265100
0.6494	Remote Similarity	NPC316405
0.6494	Remote Similarity	NPC323798
0.649	Remote Similarity	NPC153007
0.649	Remote Similarity	NPC181527
0.6485	Remote Similarity	NPC224970
0.6485	Remote Similarity	NPC167724
0.6485	Remote Similarity	NPC470971
0.6485	Remote Similarity	NPC223595
0.6481	Remote Similarity	NPC248117
0.6481	Remote Similarity	NPC315368
0.6478	Remote Similarity	NPC251391
0.6474	Remote Similarity	NPC254798
0.6463	Remote Similarity	NPC52059
0.6463	Remote Similarity	NPC470069
0.6463	Remote Similarity	NPC71132
0.6462	Remote Similarity	NPC291610
0.646	Remote Similarity	NPC123241
0.646	Remote Similarity	NPC61013
0.646	Remote Similarity	NPC76982
0.6456	Remote Similarity	NPC313889
0.6454	Remote Similarity	NPC130931
0.6453	Remote Similarity	NPC285923
0.645	Remote Similarity	NPC83774
0.6447	Remote Similarity	NPC130251
0.6442	Remote Similarity	NPC214106
0.6442	Remote Similarity	NPC199737
0.6438	Remote Similarity	NPC122235
0.6433	Remote Similarity	NPC113626
0.6429	Remote Similarity	NPC101130
0.6429	Remote Similarity	NPC58268
0.6429	Remote Similarity	NPC114033
0.6429	Remote Similarity	NPC129412
0.6424	Remote Similarity	NPC472114
0.6424	Remote Similarity	NPC41717
0.6424	Remote Similarity	NPC472115
0.6423	Remote Similarity	NPC296163
0.642	Remote Similarity	NPC148468
0.642	Remote Similarity	NPC310403
0.642	Remote Similarity	NPC97380
0.642	Remote Similarity	NPC63210
0.642	Remote Similarity	NPC263709
0.642	Remote Similarity	NPC243673
0.6419	Remote Similarity	NPC476689
0.6419	Remote Similarity	NPC476685
0.6419	Remote Similarity	NPC476687
0.6415	Remote Similarity	NPC70406
0.6405	Remote Similarity	NPC186284
0.6405	Remote Similarity	NPC470301
0.6405	Remote Similarity	NPC301760
0.6405	Remote Similarity	NPC22082
0.6402	Remote Similarity	NPC313757
0.6397	Remote Similarity	NPC275410

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC150863 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	123
0.1-0.2	502
0.2-0.3	918
0.3-0.4	1080
0.4-0.5	3059
0.5-0.6	2790
0.6-0.7	625
0.7-0.8	60
0.8-0.85	4
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8321	Intermediate Similarity	NPD3434	Clinical (unspecified phase)
0.8071	Intermediate Similarity	NPD4464	Clinical (unspecified phase)
0.8062	Intermediate Similarity	NPD1079	Discontinued
0.8045	Intermediate Similarity	NPD1781	Discontinued
0.7958	Intermediate Similarity	NPD6017	Discontinued
0.7852	Intermediate Similarity	NPD2918	Clinical (unspecified phase)
0.7852	Intermediate Similarity	NPD2919	Clinical (unspecified phase)
0.7794	Intermediate Similarity	NPD1619	Phase 3
0.766	Intermediate Similarity	NPD6655	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD2670	Approved
0.7571	Intermediate Similarity	NPD2331	Discontinued
0.7519	Intermediate Similarity	NPD1123	Approved
0.7519	Intermediate Similarity	NPD1124	Approved
0.7481	Intermediate Similarity	NPD1640	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD5918	Discontinued
0.7383	Intermediate Similarity	NPD5748	Phase 2
0.7381	Intermediate Similarity	NPD6300	Approved
0.7381	Intermediate Similarity	NPD6299	Approved
0.7379	Intermediate Similarity	NPD6566	Discontinued
0.7372	Intermediate Similarity	NPD4643	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD2820	Phase 3
0.7324	Intermediate Similarity	NPD2470	Clinical (unspecified phase)
0.7324	Intermediate Similarity	NPD1410	Phase 1
0.731	Intermediate Similarity	NPD4461	Discontinued
0.7305	Intermediate Similarity	NPD6740	Clinical (unspecified phase)
0.7305	Intermediate Similarity	NPD1527	Phase 2
0.7305	Intermediate Similarity	NPD1541	Approved
0.7286	Intermediate Similarity	NPD486	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5227	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD4549	Discontinued
0.726	Intermediate Similarity	NPD2365	Approved
0.726	Intermediate Similarity	NPD6768	Approved
0.7252	Intermediate Similarity	NPD5631	Phase 3
0.7246	Intermediate Similarity	NPD9540	Approved
0.7237	Intermediate Similarity	NPD2360	Approved
0.7231	Intermediate Similarity	NPD181	Approved
0.7222	Intermediate Similarity	NPD6342	Discontinued
0.7206	Intermediate Similarity	NPD4775	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD1874	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD1668	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD1920	Approved
0.7113	Intermediate Similarity	NPD1919	Approved
0.7103	Intermediate Similarity	NPD4077	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD9539	Approved
0.7101	Intermediate Similarity	NPD9541	Approved
0.7095	Intermediate Similarity	NPD7082	Approved
0.7063	Intermediate Similarity	NPD441	Approved
0.7059	Intermediate Similarity	NPD5965	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD3170	Approved
0.7047	Intermediate Similarity	NPD7259	Approved
0.7045	Intermediate Similarity	NPD1175	Approved
0.7031	Intermediate Similarity	NPD1064	Approved
0.7031	Intermediate Similarity	NPD1065	Approved
0.7029	Intermediate Similarity	NPD1360	Approved
0.7027	Intermediate Similarity	NPD6513	Approved
0.7027	Intermediate Similarity	NPD6512	Approved
0.702	Intermediate Similarity	NPD7088	Discontinued
0.702	Intermediate Similarity	NPD1802	Approved
0.702	Intermediate Similarity	NPD1801	Approved
0.7006	Intermediate Similarity	NPD2506	Approved
0.7	Intermediate Similarity	NPD5933	Phase 3
0.7	Intermediate Similarity	NPD5932	Phase 3
0.7	Intermediate Similarity	NPD5931	Phase 3
0.7	Intermediate Similarity	NPD7295	Approved
0.6987	Remote Similarity	NPD212	Discontinued
0.6984	Remote Similarity	NPD4735	Approved
0.6984	Remote Similarity	NPD4734	Approved
0.698	Remote Similarity	NPD5020	Approved
0.6974	Remote Similarity	NPD4942	Approved
0.6974	Remote Similarity	NPD4161	Discontinued
0.6959	Remote Similarity	NPD2010	Phase 3
0.6959	Remote Similarity	NPD1222	Discontinued
0.6944	Remote Similarity	NPD2949	Approved
0.6944	Remote Similarity	NPD2950	Approved
0.6939	Remote Similarity	NPD7142	Discontinued
0.6934	Remote Similarity	NPD9272	Approved
0.6933	Remote Similarity	NPD4736	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD1036	Approved
0.6929	Remote Similarity	NPD6320	Approved
0.6923	Remote Similarity	NPD6855	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD1631	Approved
0.6913	Remote Similarity	NPD3482	Approved
0.6863	Remote Similarity	NPD7528	Approved
0.6863	Remote Similarity	NPD4888	Discontinued
0.6848	Remote Similarity	NPD4092	Approved
0.6835	Remote Similarity	NPD1630	Approved
0.6835	Remote Similarity	NPD2427	Approved
0.6829	Remote Similarity	NPD5466	Approved
0.6824	Remote Similarity	NPD1110	Approved
0.6824	Remote Similarity	NPD1109	Approved
0.6821	Remote Similarity	NPD7487	Discontinued
0.6821	Remote Similarity	NPD3481	Approved
0.6821	Remote Similarity	NPD4046	Approved
0.6821	Remote Similarity	NPD4043	Approved
0.6815	Remote Similarity	NPD7091	Discontinued
0.6809	Remote Similarity	NPD6330	Clinical (unspecified phase)
0.6806	Remote Similarity	NPD1069	Approved
0.6806	Remote Similarity	NPD1070	Approved
0.68	Remote Similarity	NPD1100	Approved
0.68	Remote Similarity	NPD1099	Approved
0.6797	Remote Similarity	NPD2244	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD7794	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD7612	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD2790	Discontinued
0.6795	Remote Similarity	NPD5086	Approved
0.6791	Remote Similarity	NPD5179	Approved
0.6791	Remote Similarity	NPD5180	Approved
0.6791	Remote Similarity	NPD23	Approved
0.6791	Remote Similarity	NPD5181	Approved
0.679	Remote Similarity	NPD2037	Approved
0.6788	Remote Similarity	NPD4091	Approved
0.6788	Remote Similarity	NPD922	Approved
0.6781	Remote Similarity	NPD1627	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD5445	Approved
0.6765	Remote Similarity	NPD1344	Phase 2
0.6761	Remote Similarity	NPD1593	Approved
0.6753	Remote Similarity	NPD4939	Clinical (unspecified phase)
0.6752	Remote Similarity	NPD4042	Phase 2
0.6752	Remote Similarity	NPD7072	Phase 2
0.6752	Remote Similarity	NPD4045	Phase 2
0.6748	Remote Similarity	NPD3376	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD1575	Approved
0.6748	Remote Similarity	NPD1573	Approved
0.6735	Remote Similarity	NPD2791	Discontinued
0.6731	Remote Similarity	NPD3248	Phase 1
0.6731	Remote Similarity	NPD2501	Discontinued
0.673	Remote Similarity	NPD6629	Discontinued
0.6727	Remote Similarity	NPD3522	Approved
0.6727	Remote Similarity	NPD7662	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD7449	Clinical (unspecified phase)
0.6719	Remote Similarity	NPD2196	Discontinued
0.6719	Remote Similarity	NPD1417	Approved
0.6719	Remote Similarity	NPD1419	Approved
0.6719	Remote Similarity	NPD813	Approved
0.6719	Remote Similarity	NPD2193	Phase 2
0.6719	Remote Similarity	NPD2648	Phase 3
0.6713	Remote Similarity	NPD1560	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD3776	Discontinued
0.6707	Remote Similarity	NPD3997	Approved
0.6707	Remote Similarity	NPD3999	Approved
0.6707	Remote Similarity	NPD3782	Discontinued
0.6707	Remote Similarity	NPD1165	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD3998	Approved
0.6692	Remote Similarity	NPD2197	Approved
0.6692	Remote Similarity	NPD2192	Approved
0.6688	Remote Similarity	NPD7478	Approved
0.6687	Remote Similarity	NPD4311	Approved
0.6687	Remote Similarity	NPD5992	Approved
0.6667	Remote Similarity	NPD989	Approved
0.6667	Remote Similarity	NPD5659	Approved
0.6667	Remote Similarity	NPD5430	Discontinued
0.6667	Remote Similarity	NPD1680	Approved
0.6667	Remote Similarity	NPD1342	Approved
0.6667	Remote Similarity	NPD6019	Approved
0.6667	Remote Similarity	NPD5997	Discontinued
0.6667	Remote Similarity	NPD4330	Approved
0.6667	Remote Similarity	NPD5660	Approved
0.6667	Remote Similarity	NPD6018	Approved
0.6667	Remote Similarity	NPD3315	Phase 3
0.6667	Remote Similarity	NPD4329	Approved
0.6667	Remote Similarity	NPD2679	Approved
0.6667	Remote Similarity	NPD1682	Approved
0.6667	Remote Similarity	NPD1681	Approved
0.6667	Remote Similarity	NPD5982	Phase 2
0.6667	Remote Similarity	NPD2678	Approved
0.6647	Remote Similarity	NPD3792	Approved
0.6647	Remote Similarity	NPD3992	Approved
0.6647	Remote Similarity	NPD3995	Approved
0.6647	Remote Similarity	NPD3965	Phase 1
0.6647	Remote Similarity	NPD4412	Phase 2
0.6647	Remote Similarity	NPD3996	Approved
0.6647	Remote Similarity	NPD3994	Approved
0.6647	Remote Similarity	NPD3607	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD3993	Approved
0.6647	Remote Similarity	NPD3991	Approved
0.6646	Remote Similarity	NPD2369	Discontinued
0.6645	Remote Similarity	NPD5527	Clinical (unspecified phase)
0.6645	Remote Similarity	NPD1625	Approved
0.6645	Remote Similarity	NPD5526	Phase 2
0.6643	Remote Similarity	NPD9692	Approved
0.6643	Remote Similarity	NPD6900	Discontinued
0.6643	Remote Similarity	NPD9693	Approved
0.6643	Remote Similarity	NPD9567	Approved
0.6643	Remote Similarity	NPD797	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD1517	Clinical (unspecified phase)
0.6643	Remote Similarity	NPD552	Approved
0.6643	Remote Similarity	NPD553	Approved
0.6627	Remote Similarity	NPD5919	Clinical (unspecified phase)
0.6627	Remote Similarity	NPD3990	Phase 3
0.6626	Remote Similarity	NPD4645	Clinical (unspecified phase)
0.6623	Remote Similarity	NPD3625	Discontinued
0.6623	Remote Similarity	NPD1956	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD1271	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD5131	Approved
0.6617	Remote Similarity	NPD7633	Discontinued
0.6615	Remote Similarity	NPD2577	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD2336	Approved
0.6608	Remote Similarity	NPD6163	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD2431	Approved
0.6606	Remote Similarity	NPD5727	Clinical (unspecified phase)

Structure

NPC150863 OpenBabel07101718182D 22 22 0 0 1 0 0 0 0 0999 V2000 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -6.0000 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 0.8660 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 -1.7321 0.0000 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 -0.8660 0.5000 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 -5.1962 -4.0000 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 -4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 2 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 -6.0622 -4.5000 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 -6.0622 -5.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 11 2 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 16 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 2 1 6 0 0 0 14 18 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 3 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25118974
ChEMBL	CHEMBL3353922
ZINC

Physicochemical Properties

Molecular Weight:	300.18
ALogP:	1.2085
MLogP:	3
XLogP:	3.166
# Rotatable Bonds:	12
Polar Surface Area:	52.9
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	1
# Heavy Atoms:	22

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