NPASS Natural Product

Natural Product: NPC475018

Natural Product ID:	NPC475018
Common Name:	2-[1-Hydroxy-9-(4-Hydroxyphenyl)Nonyl]Benzene-1,3-Diol
IUPAC Name:	2-[1-hydroxy-9-(4-hydroxyphenyl)nonyl]benzene-1,3-diol
Synonyms:
Molecular Formula:	C21H28O4
Standard InCHIKey:	NPECRGHPSAVCMJ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H28O4/c22-17-14-12-16(13-15-17)8-5-3-1-2-4-6-9-18(23)21-19(24)10-7-11-20(21)25/h7,10-15,18,22-25H,1-6,8-9H2
Canonical SMILES:	Oc1ccc(cc1)CCCCCCCCC(c1c(O)cccc1O)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
NPO5241	Myristica fragrans	Species	Myristicaceae	Eukaryota				PMID[1955885]

Biological Activity

Activity Type	# Activity
MIC	12

Activity Type	# Activity
Organism	12

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	32	ug/ml	8411013
NPT20	Organism	Candida albicans	Candida albicans	MIC	<	32	ug/ml	8411013
NPT3730	Organism	Enterococcus durans	Enterococcus durans	MIC	=	8	ug/ml	22424239
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	16	ug/ml	7400822
NPT3730	Organism	Enterococcus durans	Enterococcus durans	MIC	=	16	ug/ml	7400822
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	10.6019/CHEMBL1201861
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	4	ug/ml	15679329
NPT20	Organism	Candida albicans	Candida albicans	MIC	<	32	ug/ml	12713415
NPT20	Organism	Candida albicans	Candida albicans	MIC	<	32	ug/ml	17269824

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 NPC475018 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	194
0.1-0.2	980
0.2-0.3	2226
0.3-0.4	7771
0.4-0.5	6264
0.5-0.6	4017
0.6-0.7	6433
0.7-0.8	2631
0.8-0.85	284
0.85-0.9	73
0.9-0.95	15
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.951	High Similarity	NPC474839
0.9412	High Similarity	NPC119860
0.9238	High Similarity	NPC63698
0.9238	High Similarity	NPC61885
0.9216	High Similarity	NPC91461
0.9216	High Similarity	NPC7686
0.9216	High Similarity	NPC40258
0.9167	High Similarity	NPC261343
0.9118	High Similarity	NPC213730
0.9107	High Similarity	NPC223451
0.9074	High Similarity	NPC43525
0.9048	High Similarity	NPC248904
0.902	High Similarity	NPC132078
0.902	High Similarity	NPC78119
0.902	High Similarity	NPC216468
0.902	High Similarity	NPC51333
0.8981	High Similarity	NPC225679
0.8981	High Similarity	NPC4493
0.8981	High Similarity	NPC165770
0.8981	High Similarity	NPC476632
0.8952	High Similarity	NPC292452
0.8909	High Similarity	NPC473137
0.8899	High Similarity	NPC166995
0.8868	High Similarity	NPC470700
0.8868	High Similarity	NPC302681
0.8868	High Similarity	NPC39097
0.8868	High Similarity	NPC118286
0.8868	High Similarity	NPC39664
0.8868	High Similarity	NPC109691
0.8857	High Similarity	NPC102216
0.8857	High Similarity	NPC241891
0.8857	High Similarity	NPC30506
0.8835	High Similarity	NPC80027
0.8818	High Similarity	NPC117846
0.8796	High Similarity	NPC33728
0.8796	High Similarity	NPC19808
0.8785	High Similarity	NPC54844
0.8785	High Similarity	NPC305603
0.8785	High Similarity	NPC61033
0.8774	High Similarity	NPC154899
0.8774	High Similarity	NPC246056
0.8774	High Similarity	NPC134829
0.8774	High Similarity	NPC233396
0.8761	High Similarity	NPC48781
0.8761	High Similarity	NPC9592
0.875	High Similarity	NPC229147
0.875	High Similarity	NPC85292
0.875	High Similarity	NPC54507
0.8739	High Similarity	NPC12656
0.8739	High Similarity	NPC107240
0.8727	High Similarity	NPC290353
0.8727	High Similarity	NPC153795
0.8727	High Similarity	NPC473521
0.8727	High Similarity	NPC42911
0.8716	High Similarity	NPC44732
0.8704	High Similarity	NPC174981
0.8704	High Similarity	NPC262365
0.8692	High Similarity	NPC92623
0.8692	High Similarity	NPC135464
0.8673	High Similarity	NPC470760
0.8667	High Similarity	NPC143659
0.8667	High Similarity	NPC100340
0.8661	High Similarity	NPC185541
0.8661	High Similarity	NPC464
0.8649	High Similarity	NPC319803
0.8636	High Similarity	NPC224527
0.8636	High Similarity	NPC308689
0.8632	High Similarity	NPC474160
0.8632	High Similarity	NPC76465
0.8632	High Similarity	NPC38761
0.8627	High Similarity	NPC151715
0.8627	High Similarity	NPC128062
0.8624	High Similarity	NPC202647
0.8609	High Similarity	NPC472071
0.8596	High Similarity	NPC144343
0.8596	High Similarity	NPC131118
0.8584	High Similarity	NPC115808
0.8571	High Similarity	NPC10588
0.8571	High Similarity	NPC276212
0.8571	High Similarity	NPC275053
0.8571	High Similarity	NPC161571
0.8571	High Similarity	NPC248573
0.8571	High Similarity	NPC294741
0.8547	High Similarity	NPC36016
0.8547	High Similarity	NPC100099
0.8545	High Similarity	NPC63345
0.8544	High Similarity	NPC26244
0.8544	High Similarity	NPC313650
0.8509	High Similarity	NPC277588
0.8491	Intermediate Similarity	NPC72947
0.8491	Intermediate Similarity	NPC284011
0.8487	Intermediate Similarity	NPC285040
0.8487	Intermediate Similarity	NPC188022
0.8487	Intermediate Similarity	NPC17809
0.8487	Intermediate Similarity	NPC102540
0.8487	Intermediate Similarity	NPC103420
0.8482	Intermediate Similarity	NPC23804
0.8476	Intermediate Similarity	NPC128723
0.8468	Intermediate Similarity	NPC257430
0.8468	Intermediate Similarity	NPC187583
0.8468	Intermediate Similarity	NPC179002
0.8468	Intermediate Similarity	NPC268032
0.8462	Intermediate Similarity	NPC473388
0.8462	Intermediate Similarity	NPC54972
0.8462	Intermediate Similarity	NPC476633
0.8455	Intermediate Similarity	NPC306045
0.8455	Intermediate Similarity	NPC265211
0.8448	Intermediate Similarity	NPC93398
0.8448	Intermediate Similarity	NPC258979
0.8448	Intermediate Similarity	NPC8283
0.8448	Intermediate Similarity	NPC69006
0.844	Intermediate Similarity	NPC232523
0.844	Intermediate Similarity	NPC158253
0.844	Intermediate Similarity	NPC204901
0.8431	Intermediate Similarity	NPC45040
0.843	Intermediate Similarity	NPC148366
0.843	Intermediate Similarity	NPC274717
0.843	Intermediate Similarity	NPC311293
0.8426	Intermediate Similarity	NPC37802
0.8421	Intermediate Similarity	NPC301651
0.8421	Intermediate Similarity	NPC473556
0.8411	Intermediate Similarity	NPC24404
0.8411	Intermediate Similarity	NPC94351
0.8411	Intermediate Similarity	NPC168829
0.8411	Intermediate Similarity	NPC313030
0.8411	Intermediate Similarity	NPC106396
0.8411	Intermediate Similarity	NPC242342
0.8411	Intermediate Similarity	NPC302219
0.8411	Intermediate Similarity	NPC71002
0.8411	Intermediate Similarity	NPC222522
0.8411	Intermediate Similarity	NPC146798
0.8411	Intermediate Similarity	NPC85479
0.8411	Intermediate Similarity	NPC53051
0.8411	Intermediate Similarity	NPC249828
0.8411	Intermediate Similarity	NPC168303
0.8407	Intermediate Similarity	NPC120280
0.8403	Intermediate Similarity	NPC106914
0.8403	Intermediate Similarity	NPC134195
0.8403	Intermediate Similarity	NPC197351
0.8403	Intermediate Similarity	NPC246648
0.8403	Intermediate Similarity	NPC86502
0.8396	Intermediate Similarity	NPC166761
0.839	Intermediate Similarity	NPC18128
0.839	Intermediate Similarity	NPC77789
0.8381	Intermediate Similarity	NPC291789
0.8378	Intermediate Similarity	NPC79793
0.8378	Intermediate Similarity	NPC174096
0.8378	Intermediate Similarity	NPC120982
0.8378	Intermediate Similarity	NPC226401
0.8378	Intermediate Similarity	NPC147634
0.8376	Intermediate Similarity	NPC24125
0.8362	Intermediate Similarity	NPC191866
0.8362	Intermediate Similarity	NPC295259
0.8362	Intermediate Similarity	NPC217174
0.8361	Intermediate Similarity	NPC212015
0.835	Intermediate Similarity	NPC325292
0.835	Intermediate Similarity	NPC138117
0.8349	Intermediate Similarity	NPC201662
0.8349	Intermediate Similarity	NPC12640
0.8349	Intermediate Similarity	NPC99836
0.8348	Intermediate Similarity	NPC476266
0.8348	Intermediate Similarity	NPC474933
0.8348	Intermediate Similarity	NPC69261
0.8348	Intermediate Similarity	NPC33270
0.8333	Intermediate Similarity	NPC300478
0.8333	Intermediate Similarity	NPC300017
0.8333	Intermediate Similarity	NPC323810
0.8333	Intermediate Similarity	NPC244513
0.8333	Intermediate Similarity	NPC218879
0.8333	Intermediate Similarity	NPC84999
0.8333	Intermediate Similarity	NPC47950
0.8333	Intermediate Similarity	NPC246760
0.8333	Intermediate Similarity	NPC278552
0.8333	Intermediate Similarity	NPC167571
0.8333	Intermediate Similarity	NPC288411
0.8333	Intermediate Similarity	NPC808
0.8333	Intermediate Similarity	NPC207179
0.8333	Intermediate Similarity	NPC227458
0.8318	Intermediate Similarity	NPC192032
0.8318	Intermediate Similarity	NPC137415
0.8318	Intermediate Similarity	NPC147310
0.8318	Intermediate Similarity	NPC294186
0.8318	Intermediate Similarity	NPC24407
0.8318	Intermediate Similarity	NPC11280
0.8318	Intermediate Similarity	NPC166313
0.8305	Intermediate Similarity	NPC196976
0.8305	Intermediate Similarity	NPC237667
0.8304	Intermediate Similarity	NPC177576
0.8288	Intermediate Similarity	NPC474272
0.8288	Intermediate Similarity	NPC299568
0.8288	Intermediate Similarity	NPC62258
0.8288	Intermediate Similarity	NPC186385
0.8288	Intermediate Similarity	NPC55617
0.8286	Intermediate Similarity	NPC132271
0.8286	Intermediate Similarity	NPC82664
0.8286	Intermediate Similarity	NPC216520
0.8286	Intermediate Similarity	NPC292730
0.8279	Intermediate Similarity	NPC87224
0.8279	Intermediate Similarity	NPC222572
0.8279	Intermediate Similarity	NPC219923

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475018 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	200
0.1-0.2	838
0.2-0.3	1245
0.3-0.4	2767
0.4-0.5	2142
0.5-0.6	1242
0.6-0.7	610
0.7-0.8	103
0.8-0.85	9
0.85-0.9	3
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9029	High Similarity	NPD846	Approved
0.9029	High Similarity	NPD940	Approved
0.8571	High Similarity	NPD1242	Phase 1
0.8544	High Similarity	NPD2860	Approved
0.8544	High Similarity	NPD2859	Approved
0.8447	Intermediate Similarity	NPD2933	Approved
0.8447	Intermediate Similarity	NPD2934	Approved
0.8302	Intermediate Similarity	NPD3020	Approved
0.8288	Intermediate Similarity	NPD4750	Phase 3
0.8276	Intermediate Similarity	NPD1548	Phase 1
0.8151	Intermediate Similarity	NPD1610	Phase 2
0.813	Intermediate Similarity	NPD4908	Phase 1
0.8065	Intermediate Similarity	NPD3027	Phase 3
0.8	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7874	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7874	Intermediate Similarity	NPD1613	Approved
0.7833	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7807	Intermediate Similarity	NPD3022	Approved
0.7807	Intermediate Similarity	NPD3021	Approved
0.7795	Intermediate Similarity	NPD6407	Approved
0.7795	Intermediate Similarity	NPD6405	Approved
0.7757	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7685	Intermediate Similarity	NPD844	Approved
0.7685	Intermediate Similarity	NPD1809	Phase 2
0.7664	Intermediate Similarity	NPD845	Approved
0.7652	Intermediate Similarity	NPD9380	Clinical (unspecified phase)
0.7615	Intermediate Similarity	NPD2568	Approved
0.7581	Intermediate Similarity	NPD4659	Approved
0.7578	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7573	Intermediate Similarity	NPD111	Approved
0.7568	Intermediate Similarity	NPD3028	Approved
0.7559	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7542	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD3091	Approved
0.7521	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD2561	Approved
0.75	Intermediate Similarity	NPD2562	Approved
0.748	Intermediate Similarity	NPD2861	Phase 2
0.748	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD1131	Approved
0.746	Intermediate Similarity	NPD1133	Approved
0.746	Intermediate Similarity	NPD4104	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD4103	Phase 2
0.746	Intermediate Similarity	NPD3094	Phase 2
0.746	Intermediate Similarity	NPD1129	Approved
0.746	Intermediate Similarity	NPD1135	Approved
0.746	Intermediate Similarity	NPD1134	Approved
0.7455	Intermediate Similarity	NPD288	Approved
0.7451	Intermediate Similarity	NPD9089	Approved
0.7424	Intermediate Similarity	NPD3552	Approved
0.7424	Intermediate Similarity	NPD3553	Approved
0.7424	Intermediate Similarity	NPD3555	Approved
0.7424	Intermediate Similarity	NPD3554	Approved
0.7419	Intermediate Similarity	NPD3092	Approved
0.7419	Intermediate Similarity	NPD422	Phase 1
0.7411	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7402	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7388	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7388	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD1510	Phase 2
0.7364	Intermediate Similarity	NPD4625	Phase 3
0.7353	Intermediate Similarity	NPD9093	Approved
0.7333	Intermediate Similarity	NPD1476	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD1549	Phase 2
0.7328	Intermediate Similarity	NPD943	Approved
0.7328	Intermediate Similarity	NPD2342	Discontinued
0.7328	Intermediate Similarity	NPD1240	Approved
0.7319	Intermediate Similarity	NPD7213	Phase 3
0.7319	Intermediate Similarity	NPD7212	Phase 2
0.7311	Intermediate Similarity	NPD7635	Approved
0.7308	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD4749	Approved
0.7302	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD856	Approved
0.7295	Intermediate Similarity	NPD16	Approved
0.728	Intermediate Similarity	NPD1091	Approved
0.7273	Intermediate Similarity	NPD5124	Phase 1
0.7273	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7265	Intermediate Similarity	NPD2684	Approved
0.7258	Intermediate Similarity	NPD3095	Discontinued
0.725	Intermediate Similarity	NPD2234	Approved
0.725	Intermediate Similarity	NPD2228	Approved
0.725	Intermediate Similarity	NPD2229	Approved
0.7241	Intermediate Similarity	NPD968	Approved
0.7236	Intermediate Similarity	NPD5304	Approved
0.7236	Intermediate Similarity	NPD5303	Approved
0.7232	Intermediate Similarity	NPD9273	Approved
0.7218	Intermediate Similarity	NPD1607	Approved
0.7209	Intermediate Similarity	NPD3018	Phase 2
0.7197	Intermediate Similarity	NPD1555	Discontinued
0.7179	Intermediate Similarity	NPD290	Approved
0.7167	Intermediate Similarity	NPD7843	Approved
0.7164	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD317	Approved
0.7154	Intermediate Similarity	NPD318	Approved
0.7143	Intermediate Similarity	NPD7447	Phase 1
0.7133	Intermediate Similarity	NPD4380	Phase 2
0.712	Intermediate Similarity	NPD4589	Approved
0.7101	Intermediate Similarity	NPD3400	Discontinued
0.7068	Intermediate Similarity	NPD3062	Approved
0.7068	Intermediate Similarity	NPD3059	Approved
0.7068	Intermediate Similarity	NPD2238	Phase 2
0.7068	Intermediate Similarity	NPD3061	Approved
0.7059	Intermediate Similarity	NPD5451	Approved
0.7054	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD9094	Approved
0.7031	Intermediate Similarity	NPD6582	Phase 2
0.7031	Intermediate Similarity	NPD6583	Phase 3
0.7031	Intermediate Similarity	NPD2983	Phase 2
0.7031	Intermediate Similarity	NPD2982	Phase 2
0.7021	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7008	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7008	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD599	Approved
0.7	Intermediate Similarity	NPD859	Approved
0.7	Intermediate Similarity	NPD858	Approved
0.7	Intermediate Similarity	NPD602	Approved
0.6992	Remote Similarity	NPD6671	Approved
0.6992	Remote Similarity	NPD7157	Approved
0.6985	Remote Similarity	NPD7033	Discontinued
0.6985	Remote Similarity	NPD1509	Clinical (unspecified phase)
0.6984	Remote Similarity	NPD6516	Phase 2
0.6984	Remote Similarity	NPD5846	Approved
0.6984	Remote Similarity	NPD9384	Approved
0.6984	Remote Similarity	NPD9381	Approved
0.6983	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD3892	Phase 2
0.6978	Remote Similarity	NPD3750	Approved
0.6967	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6967	Remote Similarity	NPD5283	Phase 1
0.6963	Remote Similarity	NPD5314	Approved
0.6961	Remote Similarity	NPD9294	Approved
0.6953	Remote Similarity	NPD2981	Phase 2
0.694	Remote Similarity	NPD4060	Phase 1
0.6935	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD2796	Approved
0.6929	Remote Similarity	NPD3847	Discontinued
0.6929	Remote Similarity	NPD3421	Phase 3
0.6923	Remote Similarity	NPD9610	Approved
0.6923	Remote Similarity	NPD1164	Approved
0.6923	Remote Similarity	NPD9608	Approved
0.6917	Remote Similarity	NPD6798	Discontinued
0.6917	Remote Similarity	NPD1792	Phase 2
0.6912	Remote Similarity	NPD4536	Approved
0.6912	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD4538	Approved
0.6906	Remote Similarity	NPD1652	Phase 2
0.6906	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6905	Remote Similarity	NPD4093	Discontinued
0.6885	Remote Similarity	NPD5535	Approved
0.6884	Remote Similarity	NPD2029	Clinical (unspecified phase)
0.6884	Remote Similarity	NPD7266	Discontinued
0.6875	Remote Similarity	NPD1201	Approved
0.6871	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.687	Remote Similarity	NPD6584	Phase 3
0.6864	Remote Similarity	NPD5048	Discontinued
0.6861	Remote Similarity	NPD5960	Phase 3
0.6861	Remote Similarity	NPD5588	Approved
0.685	Remote Similarity	NPD3019	Approved
0.685	Remote Similarity	NPD2286	Discontinued
0.685	Remote Similarity	NPD2932	Approved
0.685	Remote Similarity	NPD4059	Approved
0.6849	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD8651	Approved
0.6838	Remote Similarity	NPD3054	Approved
0.6838	Remote Similarity	NPD3052	Approved
0.6831	Remote Similarity	NPD7390	Discontinued
0.6828	Remote Similarity	NPD6057	Approved
0.6828	Remote Similarity	NPD6056	Approved
0.6825	Remote Similarity	NPD1759	Phase 1
0.6825	Remote Similarity	NPD7741	Discontinued
0.6825	Remote Similarity	NPD7330	Discontinued
0.6824	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5736	Approved
0.6812	Remote Similarity	NPD2935	Discontinued
0.6812	Remote Similarity	NPD5408	Approved
0.6812	Remote Similarity	NPD1551	Phase 2
0.6812	Remote Similarity	NPD5405	Approved
0.6812	Remote Similarity	NPD5404	Approved
0.6812	Remote Similarity	NPD5406	Approved
0.6807	Remote Similarity	NPD1445	Approved
0.6807	Remote Similarity	NPD1444	Approved
0.6803	Remote Similarity	NPD228	Approved
0.6803	Remote Similarity	NPD1934	Approved
0.6794	Remote Similarity	NPD2797	Approved
0.6794	Remote Similarity	NPD1470	Approved
0.6783	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.678	Remote Similarity	NPD1237	Approved
0.6774	Remote Similarity	NPD9618	Approved
0.6774	Remote Similarity	NPD9614	Approved
0.6769	Remote Similarity	NPD9622	Approved
0.6769	Remote Similarity	NPD3685	Discontinued
0.6765	Remote Similarity	NPD6355	Discontinued
0.675	Remote Similarity	NPD4095	Clinical (unspecified phase)
0.675	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD821	Approved
0.6746	Remote Similarity	NPD1758	Phase 1
0.6742	Remote Similarity	NPD3691	Phase 2
0.6742	Remote Similarity	NPD3690	Phase 2

Structure

NPC475018 OpenBabel07101719132D 25 26 0 0 1 0 0 0 0 0999 V2000 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 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 -0.0000 2.0000 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 2.5981 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 1.7321 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 4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 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 3.4641 0.0000 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 -0.8660 0.5000 0.0000 C 0 0 3 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 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 16 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 17 1 0 0 0 0 17 22 1 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44576024
ChEMBL	CHEMBL491994
ZINC

Physicochemical Properties

Molecular Weight:	344.20
ALogP:	-3.8452
MLogP:	3.33
XLogP:	6.398
# Rotatable Bonds:	14
Polar Surface Area:	80.92
# H-Bond Aceptor:	1
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	25

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