NPASS Natural Product

Natural Product: NPC470887

Natural Product ID:	NPC470887
Common Name:	Di-O-Acetylendiandrin A
IUPAC Name:	[4-[(1R,2R,3S,4S)-2-(4-acetyloxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenyl] acetate
Synonyms:
Molecular Formula:	C24H28O6
Standard InCHIKey:	VOWJIFKFNBEVKN-NHCASCSRSA-N
Standard InCHI:	InChI=1S/C24H28O6/c1-13-14(2)24(18-8-10-20(30-16(4)26)22(12-18)28-6)23(13)17-7-9-19(29-15(3)25)21(11-17)27-5/h7-14,23-24H,1-6H3/t13-,14-,23-,24-/m0/s1
Canonical SMILES:	COc1cc(ccc1OC(=O)C)[C@@H]1[C@@H](C)[C@@H]([C@H]1c1ccc(c(c1)OC)OC(=O)C)C
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
NPO18777	Endiandra anthropophagorum	Species	Lauraceae	Eukaryota		Australia		PMID[17583952]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Individual Protein	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT249	Individual Protein	Glucocorticoid receptor	Homo sapiens	IC50	=	34000	nM	19581457

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 NPC470887 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	218
0.1-0.2	1216
0.2-0.3	2459
0.3-0.4	7541
0.4-0.5	5877
0.5-0.6	3048
0.6-0.7	7528
0.7-0.8	2708
0.8-0.85	251
0.85-0.9	38
0.9-0.95	5
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9224	High Similarity	NPC473264
0.9224	High Similarity	NPC475815
0.9052	High Similarity	NPC303522
0.9052	High Similarity	NPC165106
0.9016	High Similarity	NPC279379
0.8992	High Similarity	NPC159916
0.8898	High Similarity	NPC47194
0.888	High Similarity	NPC223807
0.8879	High Similarity	NPC245552
0.8833	High Similarity	NPC277460
0.8824	High Similarity	NPC9341
0.8824	High Similarity	NPC81067
0.877	High Similarity	NPC267064
0.874	High Similarity	NPC476748
0.8699	High Similarity	NPC38996
0.8699	High Similarity	NPC160380
0.8689	High Similarity	NPC344161
0.8678	High Similarity	NPC474040
0.8661	High Similarity	NPC210674
0.8661	High Similarity	NPC474623
0.8661	High Similarity	NPC474651
0.8583	High Similarity	NPC194841
0.8548	High Similarity	NPC57268
0.8548	High Similarity	NPC301641
0.8548	High Similarity	NPC65933
0.8548	High Similarity	NPC216929
0.8548	High Similarity	NPC312713
0.8548	High Similarity	NPC172676
0.8548	High Similarity	NPC126935
0.8548	High Similarity	NPC80241
0.8537	High Similarity	NPC117780
0.8537	High Similarity	NPC242885
0.8537	High Similarity	NPC227217
0.8537	High Similarity	NPC165133
0.8537	High Similarity	NPC95614
0.8537	High Similarity	NPC56214
0.8537	High Similarity	NPC232316
0.8527	High Similarity	NPC307042
0.8527	High Similarity	NPC79184
0.8527	High Similarity	NPC476399
0.8525	High Similarity	NPC124916
0.8504	High Similarity	NPC213552
0.8504	High Similarity	NPC120225
0.8485	Intermediate Similarity	NPC224941
0.8485	Intermediate Similarity	NPC311430
0.8473	Intermediate Similarity	NPC205915
0.8468	Intermediate Similarity	NPC471877
0.8468	Intermediate Similarity	NPC472596
0.8455	Intermediate Similarity	NPC281298
0.8455	Intermediate Similarity	NPC37858
0.8455	Intermediate Similarity	NPC310338
0.845	Intermediate Similarity	NPC241354
0.8438	Intermediate Similarity	NPC98745
0.8425	Intermediate Similarity	NPC289459
0.8421	Intermediate Similarity	NPC286843
0.8413	Intermediate Similarity	NPC31344
0.8413	Intermediate Similarity	NPC317769
0.8409	Intermediate Similarity	NPC176814
0.8409	Intermediate Similarity	NPC474600
0.8409	Intermediate Similarity	NPC67247
0.8409	Intermediate Similarity	NPC68779
0.8409	Intermediate Similarity	NPC5310
0.8409	Intermediate Similarity	NPC300776
0.8409	Intermediate Similarity	NPC4982
0.84	Intermediate Similarity	NPC477886
0.8376	Intermediate Similarity	NPC258171
0.8374	Intermediate Similarity	NPC474214
0.8374	Intermediate Similarity	NPC470626
0.8372	Intermediate Similarity	NPC226661
0.8346	Intermediate Similarity	NPC18449
0.8346	Intermediate Similarity	NPC246704
0.8346	Intermediate Similarity	NPC34902
0.8346	Intermediate Similarity	NPC121783
0.8346	Intermediate Similarity	NPC234865
0.8346	Intermediate Similarity	NPC211386
0.8333	Intermediate Similarity	NPC71090
0.8333	Intermediate Similarity	NPC85488
0.8333	Intermediate Similarity	NPC261661
0.8333	Intermediate Similarity	NPC280760
0.8308	Intermediate Similarity	NPC83062
0.8306	Intermediate Similarity	NPC254625
0.8306	Intermediate Similarity	NPC475961
0.8306	Intermediate Similarity	NPC474320
0.8295	Intermediate Similarity	NPC158737
0.8293	Intermediate Similarity	NPC293619
0.8293	Intermediate Similarity	NPC185738
0.8293	Intermediate Similarity	NPC280001
0.8293	Intermediate Similarity	NPC86947
0.8284	Intermediate Similarity	NPC120852
0.8284	Intermediate Similarity	NPC143895
0.8284	Intermediate Similarity	NPC471988
0.8281	Intermediate Similarity	NPC85830
0.8281	Intermediate Similarity	NPC17348
0.8276	Intermediate Similarity	NPC292792
0.8271	Intermediate Similarity	NPC309744
0.8271	Intermediate Similarity	NPC473054
0.8271	Intermediate Similarity	NPC110958
0.8271	Intermediate Similarity	NPC19890
0.8268	Intermediate Similarity	NPC249788
0.8268	Intermediate Similarity	NPC21238
0.8268	Intermediate Similarity	NPC280704
0.8258	Intermediate Similarity	NPC245120
0.8258	Intermediate Similarity	NPC5423
0.8254	Intermediate Similarity	NPC114845
0.8254	Intermediate Similarity	NPC127389
0.8254	Intermediate Similarity	NPC290451
0.8248	Intermediate Similarity	NPC131971
0.8244	Intermediate Similarity	NPC19242
0.8231	Intermediate Similarity	NPC478215
0.8231	Intermediate Similarity	NPC226862
0.8231	Intermediate Similarity	NPC57119
0.8231	Intermediate Similarity	NPC165128
0.8231	Intermediate Similarity	NPC158471
0.8226	Intermediate Similarity	NPC205502
0.8222	Intermediate Similarity	NPC281780
0.8217	Intermediate Similarity	NPC274356
0.8217	Intermediate Similarity	NPC50683
0.8217	Intermediate Similarity	NPC206882
0.8217	Intermediate Similarity	NPC112571
0.8217	Intermediate Similarity	NPC285725
0.8217	Intermediate Similarity	NPC127604
0.8217	Intermediate Similarity	NPC17837
0.8217	Intermediate Similarity	NPC304630
0.8209	Intermediate Similarity	NPC72796
0.8209	Intermediate Similarity	NPC44245
0.8209	Intermediate Similarity	NPC113295
0.8205	Intermediate Similarity	NPC473855
0.8203	Intermediate Similarity	NPC94276
0.8203	Intermediate Similarity	NPC20443
0.8203	Intermediate Similarity	NPC146886
0.8203	Intermediate Similarity	NPC293701
0.8203	Intermediate Similarity	NPC109822
0.8203	Intermediate Similarity	NPC60517
0.8203	Intermediate Similarity	NPC114901
0.8203	Intermediate Similarity	NPC48990
0.8197	Intermediate Similarity	NPC294941
0.8189	Intermediate Similarity	NPC476332
0.8189	Intermediate Similarity	NPC473464
0.8189	Intermediate Similarity	NPC30462
0.8182	Intermediate Similarity	NPC165646
0.8175	Intermediate Similarity	NPC207613
0.8175	Intermediate Similarity	NPC322569
0.816	Intermediate Similarity	NPC69670
0.816	Intermediate Similarity	NPC15805
0.816	Intermediate Similarity	NPC234956
0.8154	Intermediate Similarity	NPC474670
0.8154	Intermediate Similarity	NPC177167
0.8154	Intermediate Similarity	NPC64948
0.8154	Intermediate Similarity	NPC189248
0.8154	Intermediate Similarity	NPC202904
0.8148	Intermediate Similarity	NPC11453
0.8148	Intermediate Similarity	NPC471719
0.8148	Intermediate Similarity	NPC90431
0.814	Intermediate Similarity	NPC148627
0.814	Intermediate Similarity	NPC53305
0.814	Intermediate Similarity	NPC266705
0.814	Intermediate Similarity	NPC257589
0.814	Intermediate Similarity	NPC29008
0.814	Intermediate Similarity	NPC87113
0.814	Intermediate Similarity	NPC228771
0.814	Intermediate Similarity	NPC194519
0.814	Intermediate Similarity	NPC280767
0.814	Intermediate Similarity	NPC9067
0.814	Intermediate Similarity	NPC170749
0.814	Intermediate Similarity	NPC3221
0.8134	Intermediate Similarity	NPC37065
0.8134	Intermediate Similarity	NPC90083
0.8134	Intermediate Similarity	NPC170779
0.8134	Intermediate Similarity	NPC111635
0.812	Intermediate Similarity	NPC283546
0.812	Intermediate Similarity	NPC230219
0.812	Intermediate Similarity	NPC319969
0.811	Intermediate Similarity	NPC324571
0.811	Intermediate Similarity	NPC54872
0.811	Intermediate Similarity	NPC312675
0.811	Intermediate Similarity	NPC470212
0.811	Intermediate Similarity	NPC473853
0.811	Intermediate Similarity	NPC262156
0.811	Intermediate Similarity	NPC184651
0.811	Intermediate Similarity	NPC343720
0.811	Intermediate Similarity	NPC70752
0.811	Intermediate Similarity	NPC113865
0.8106	Intermediate Similarity	NPC474617
0.8106	Intermediate Similarity	NPC173308
0.8106	Intermediate Similarity	NPC275950
0.8106	Intermediate Similarity	NPC181079
0.8106	Intermediate Similarity	NPC233224
0.8106	Intermediate Similarity	NPC271208
0.8103	Intermediate Similarity	NPC307425
0.8103	Intermediate Similarity	NPC12714
0.8103	Intermediate Similarity	NPC310905
0.8102	Intermediate Similarity	NPC110699
0.8102	Intermediate Similarity	NPC106055
0.8099	Intermediate Similarity	NPC55300
0.8095	Intermediate Similarity	NPC2058
0.8092	Intermediate Similarity	NPC184733
0.8092	Intermediate Similarity	NPC110313
0.8092	Intermediate Similarity	NPC31707
0.8092	Intermediate Similarity	NPC128208
0.8092	Intermediate Similarity	NPC11258

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470887 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	234
0.1-0.2	1000
0.2-0.3	1216
0.3-0.4	2624
0.4-0.5	2001
0.5-0.6	1135
0.6-0.7	732
0.7-0.8	210
0.8-0.85	7
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9052	High Similarity	NPD5283	Phase 1
0.8644	High Similarity	NPD5535	Approved
0.8293	Intermediate Similarity	NPD5536	Phase 2
0.8258	Intermediate Similarity	NPD4060	Phase 1
0.8168	Intermediate Similarity	NPD7095	Approved
0.816	Intermediate Similarity	NPD5585	Approved
0.8116	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.8116	Intermediate Similarity	NPD4110	Phase 3
0.8	Intermediate Similarity	NPD2653	Approved
0.7969	Intermediate Similarity	NPD1611	Approved
0.7953	Intermediate Similarity	NPD17	Approved
0.7926	Intermediate Similarity	NPD6355	Discontinued
0.7917	Intermediate Similarity	NPD1358	Approved
0.7874	Intermediate Similarity	NPD5691	Approved
0.7852	Intermediate Similarity	NPD4140	Approved
0.7851	Intermediate Similarity	NPD2684	Approved
0.7846	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7846	Intermediate Similarity	NPD4359	Approved
0.784	Intermediate Similarity	NPD7157	Approved
0.7836	Intermediate Similarity	NPD5111	Phase 2
0.7836	Intermediate Similarity	NPD5110	Phase 2
0.7836	Intermediate Similarity	NPD5109	Approved
0.7833	Intermediate Similarity	NPD3134	Approved
0.7829	Intermediate Similarity	NPD3705	Approved
0.7829	Intermediate Similarity	NPD1281	Approved
0.782	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD228	Approved
0.7778	Intermediate Similarity	NPD8032	Phase 2
0.7769	Intermediate Similarity	NPD1608	Approved
0.7754	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7754	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD7843	Approved
0.7721	Intermediate Similarity	NPD2979	Phase 3
0.7708	Intermediate Similarity	NPD3647	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD6798	Discontinued
0.7698	Intermediate Similarity	NPD2438	Suspended
0.7674	Intermediate Similarity	NPD4626	Approved
0.7652	Intermediate Similarity	NPD1283	Approved
0.7642	Intermediate Similarity	NPD3022	Approved
0.7642	Intermediate Similarity	NPD3021	Approved
0.7634	Intermediate Similarity	NPD2981	Phase 2
0.763	Intermediate Similarity	NPD3027	Phase 3
0.7615	Intermediate Similarity	NPD3496	Discontinued
0.7615	Intermediate Similarity	NPD3847	Discontinued
0.7597	Intermediate Similarity	NPD1651	Approved
0.7594	Intermediate Similarity	NPD3266	Approved
0.7594	Intermediate Similarity	NPD2797	Approved
0.7594	Intermediate Similarity	NPD3267	Approved
0.7586	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD2982	Phase 2
0.7576	Intermediate Similarity	NPD5327	Phase 3
0.7576	Intermediate Similarity	NPD2983	Phase 2
0.7569	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7554	Intermediate Similarity	NPD6895	Approved
0.7554	Intermediate Similarity	NPD6896	Approved
0.7519	Intermediate Similarity	NPD1894	Discontinued
0.7518	Intermediate Similarity	NPD4870	Approved
0.7518	Intermediate Similarity	NPD4062	Phase 3
0.7518	Intermediate Similarity	NPD5762	Approved
0.7518	Intermediate Similarity	NPD5763	Approved
0.7518	Intermediate Similarity	NPD6233	Phase 2
0.75	Intermediate Similarity	NPD5451	Approved
0.7483	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD6331	Phase 2
0.7481	Intermediate Similarity	NPD2237	Approved
0.7481	Intermediate Similarity	NPD3018	Phase 2
0.7463	Intermediate Similarity	NPD987	Approved
0.7459	Intermediate Similarity	NPD9697	Approved
0.7447	Intermediate Similarity	NPD6032	Approved
0.7447	Intermediate Similarity	NPD2531	Phase 2
0.7445	Intermediate Similarity	NPD3268	Approved
0.7444	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD7097	Phase 1
0.7426	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7426	Intermediate Similarity	NPD2614	Approved
0.741	Intermediate Similarity	NPD1933	Approved
0.741	Intermediate Similarity	NPD3657	Discovery
0.7405	Intermediate Similarity	NPD6516	Phase 2
0.7405	Intermediate Similarity	NPD5846	Approved
0.7391	Intermediate Similarity	NPD1726	Clinical (unspecified phase)
0.7388	Intermediate Similarity	NPD2922	Phase 1
0.7376	Intermediate Similarity	NPD2799	Discontinued
0.7364	Intermediate Similarity	NPD3596	Phase 2
0.7361	Intermediate Similarity	NPD4628	Phase 3
0.7357	Intermediate Similarity	NPD6653	Approved
0.7357	Intermediate Similarity	NPD4579	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD2861	Phase 2
0.7347	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7343	Intermediate Similarity	NPD4534	Discontinued
0.7343	Intermediate Similarity	NPD5958	Discontinued
0.7338	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD1613	Approved
0.7338	Intermediate Similarity	NPD3620	Phase 2
0.7333	Intermediate Similarity	NPD6873	Phase 2
0.7328	Intermediate Similarity	NPD1357	Approved
0.7324	Intermediate Similarity	NPD2161	Phase 2
0.7319	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD5718	Phase 2
0.7308	Intermediate Similarity	NPD7644	Approved
0.7299	Intermediate Similarity	NPD6832	Phase 2
0.7299	Intermediate Similarity	NPD4908	Phase 1
0.7297	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD1535	Discovery
0.7292	Intermediate Similarity	NPD4162	Approved
0.729	Intermediate Similarity	NPD8127	Discontinued
0.729	Intermediate Similarity	NPD7199	Phase 2
0.7287	Intermediate Similarity	NPD6671	Approved
0.7286	Intermediate Similarity	NPD4340	Discontinued
0.7286	Intermediate Similarity	NPD447	Suspended
0.7279	Intermediate Similarity	NPD3688	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD6584	Phase 3
0.7279	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD3146	Approved
0.7273	Intermediate Similarity	NPD1778	Approved
0.7273	Intermediate Similarity	NPD1375	Discontinued
0.7266	Intermediate Similarity	NPD1241	Discontinued
0.7252	Intermediate Similarity	NPD6581	Approved
0.7252	Intermediate Similarity	NPD6580	Approved
0.7248	Intermediate Similarity	NPD3687	Approved
0.7248	Intermediate Similarity	NPD3686	Approved
0.7248	Intermediate Similarity	NPD4210	Discontinued
0.7246	Intermediate Similarity	NPD5163	Phase 2
0.7239	Intermediate Similarity	NPD1481	Phase 2
0.7237	Intermediate Similarity	NPD5563	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD6273	Approved
0.7222	Intermediate Similarity	NPD4664	Clinical (unspecified phase)
0.7214	Intermediate Similarity	NPD1558	Phase 1
0.7203	Intermediate Similarity	NPD4476	Approved
0.7203	Intermediate Similarity	NPD4477	Approved
0.7197	Intermediate Similarity	NPD3445	Approved
0.7197	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD3444	Approved
0.7197	Intermediate Similarity	NPD3443	Approved
0.7194	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD3374	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD3020	Approved
0.719	Intermediate Similarity	NPD3817	Phase 2
0.7172	Intermediate Similarity	NPD6674	Discontinued
0.7171	Intermediate Similarity	NPD37	Approved
0.7164	Intermediate Similarity	NPD422	Phase 1
0.7164	Intermediate Similarity	NPD1610	Phase 2
0.7163	Intermediate Similarity	NPD4622	Approved
0.7163	Intermediate Similarity	NPD5735	Approved
0.7163	Intermediate Similarity	NPD4618	Approved
0.7163	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD6387	Discontinued
0.7154	Intermediate Similarity	NPD2557	Approved
0.7153	Intermediate Similarity	NPD5865	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD6875	Approved
0.7152	Intermediate Similarity	NPD4481	Phase 3
0.7152	Intermediate Similarity	NPD6876	Approved
0.7143	Intermediate Similarity	NPD4967	Phase 2
0.7143	Intermediate Similarity	NPD2668	Approved
0.7143	Intermediate Similarity	NPD4966	Approved
0.7143	Intermediate Similarity	NPD4965	Approved
0.7143	Intermediate Similarity	NPD2667	Approved
0.7143	Intermediate Similarity	NPD2423	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6667	Approved
0.7143	Intermediate Similarity	NPD7124	Phase 2
0.7143	Intermediate Similarity	NPD2107	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD6666	Approved
0.7132	Intermediate Similarity	NPD8651	Approved
0.7132	Intermediate Similarity	NPD1876	Approved
0.7121	Intermediate Similarity	NPD1182	Approved
0.712	Intermediate Similarity	NPD968	Approved
0.7114	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD1840	Phase 2
0.7111	Intermediate Similarity	NPD3972	Approved
0.7105	Intermediate Similarity	NPD6386	Approved
0.7105	Intermediate Similarity	NPD6385	Approved
0.7103	Intermediate Similarity	NPD2808	Discontinued
0.7103	Intermediate Similarity	NPD2897	Discontinued
0.7092	Intermediate Similarity	NPD4307	Phase 2
0.7092	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD2935	Discontinued
0.7075	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD3887	Approved
0.7071	Intermediate Similarity	NPD7985	Registered
0.7067	Intermediate Similarity	NPD6031	Approved
0.7067	Intermediate Similarity	NPD6030	Approved
0.7063	Intermediate Similarity	NPD5689	Approved
0.7063	Intermediate Similarity	NPD290	Approved
0.7063	Intermediate Similarity	NPD5688	Approved
0.7059	Intermediate Similarity	NPD1669	Approved
0.7059	Intermediate Similarity	NPD6582	Phase 2
0.7059	Intermediate Similarity	NPD7945	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3685	Discontinued
0.7059	Intermediate Similarity	NPD6583	Phase 3
0.7054	Intermediate Similarity	NPD821	Approved
0.7051	Intermediate Similarity	NPD6234	Discontinued
0.7039	Intermediate Similarity	NPD7028	Phase 2
0.7034	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD2353	Approved
0.7034	Intermediate Similarity	NPD7266	Discontinued
0.7029	Intermediate Similarity	NPD4624	Approved

Structure

NPC470887 OpenBabel07101718182D 30 32 0 0 1 0 0 0 0 0999 V2000 1.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 4.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 2.6037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6037 5.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 1.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 2.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 1 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 3.5696 4.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7944 3.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7071 1.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1213 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 3.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 2.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 3.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2767 5.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0532 2.6037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3461 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 4.3461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8284 3.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 2 0 0 0 0 7 17 1 0 0 0 0 8 10 2 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 17 2 0 0 0 0 11 21 1 0 0 0 0 12 18 2 0 0 0 0 12 22 1 0 0 0 0 13 1 1 1 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 14 2 1 6 0 0 0 14 24 1 0 0 0 0 15 25 2 0 0 0 0 15 29 1 0 0 0 0 16 26 2 0 0 0 0 16 30 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 22 2 0 0 0 0 20 30 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 17 1 6 0 0 0 23 24 1 0 0 0 0 24 18 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	16756781
ChEMBL	CHEMBL228655
ZINC

Physicochemical Properties

Molecular Weight:	412.19
ALogP:	-0.261
MLogP:	3.44
XLogP:	6.256
# Rotatable Bonds:	14
Polar Surface Area:	71.06
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	3
# Heavy Atoms:	30

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