NPASS Natural Product

Natural Product: NPC473575

Natural Product ID:	NPC473575
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C40H50O6
Standard InCHIKey:	LLVXKHLVRMNFCL-BDKOTJNPSA-N
Standard InCHI:	InChI=1S/C40H50O6/c1-38(2)12-4-13-39(3)35(38)11-14-40-19-27(7-10-36(39)40)29(20-40)22-42-37-30(16-26-6-9-32-34(18-26)46-24-44-32)28(21-41-37)15-25-5-8-31-33(17-25)45-23-43-31/h5-6,8-9,17-18,20,27-28,30,35-37H,4,7,10-16,19,21-24H2,1-3H3/t27-,28-,30+,35+,36-,37?,39+,40-/m0/s1
Canonical SMILES:	CC1(C)CCC[C@@]2([C@@H]1CC[C@@]13[C@H]2CC[C@@H](C3)C(=C1)COC1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)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
NPO33321	aristolochia constricta	Species	Aristolochiaceae	Eukaryota				PMID[18570470]

Biological Activity

Activity Type	# Activity
Others	2

Activity Type	# Activity
Tissue	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT548	Tissue	Ileum	Cavia porcellus	Inhibition	>	100	%	23454512
NPT548	Tissue	Ileum	Cavia porcellus	Inhibition	>	100	%	23611124

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 NPC473575 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	401
0.1-0.2	1275
0.2-0.3	2450
0.3-0.4	6540
0.4-0.5	6885
0.5-0.6	6694
0.6-0.7	5452
0.7-0.8	1114
0.8-0.85	71
0.85-0.9	7
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8824	High Similarity	NPC158737
0.8686	High Similarity	NPC177167
0.854	High Similarity	NPC17348
0.85	High Similarity	NPC171550
0.85	High Similarity	NPC271208
0.85	High Similarity	NPC134764
0.85	High Similarity	NPC233224
0.844	Intermediate Similarity	NPC82111
0.844	Intermediate Similarity	NPC227160
0.8382	Intermediate Similarity	NPC80241
0.8382	Intermediate Similarity	NPC301641
0.838	Intermediate Similarity	NPC33611
0.838	Intermediate Similarity	NPC100223
0.838	Intermediate Similarity	NPC16830
0.838	Intermediate Similarity	NPC129687
0.838	Intermediate Similarity	NPC171928
0.838	Intermediate Similarity	NPC158526
0.8357	Intermediate Similarity	NPC226862
0.8357	Intermediate Similarity	NPC158471
0.8357	Intermediate Similarity	NPC165128
0.8357	Intermediate Similarity	NPC57119
0.8333	Intermediate Similarity	NPC474139
0.8299	Intermediate Similarity	NPC162851
0.8299	Intermediate Similarity	NPC218092
0.8299	Intermediate Similarity	NPC246474
0.8298	Intermediate Similarity	NPC476748
0.8235	Intermediate Similarity	NPC344161
0.8219	Intermediate Similarity	NPC469981
0.8214	Intermediate Similarity	NPC213711
0.8214	Intermediate Similarity	NPC40352
0.8207	Intermediate Similarity	NPC189474
0.8194	Intermediate Similarity	NPC169973
0.8182	Intermediate Similarity	NPC476345
0.8176	Intermediate Similarity	NPC471908
0.8163	Intermediate Similarity	NPC178290
0.8156	Intermediate Similarity	NPC100129
0.8146	Intermediate Similarity	NPC241846
0.8146	Intermediate Similarity	NPC93610
0.8138	Intermediate Similarity	NPC90083
0.8138	Intermediate Similarity	NPC170779
0.8138	Intermediate Similarity	NPC47181
0.8138	Intermediate Similarity	NPC31530
0.8133	Intermediate Similarity	NPC179521
0.8125	Intermediate Similarity	NPC227002
0.8125	Intermediate Similarity	NPC7744
0.8112	Intermediate Similarity	NPC275950
0.8095	Intermediate Similarity	NPC101807
0.8095	Intermediate Similarity	NPC196420
0.8082	Intermediate Similarity	NPC25333
0.8082	Intermediate Similarity	NPC148893
0.8082	Intermediate Similarity	NPC49235
0.8082	Intermediate Similarity	NPC18576
0.8069	Intermediate Similarity	NPC136750
0.8069	Intermediate Similarity	NPC266848
0.8056	Intermediate Similarity	NPC192255
0.8054	Intermediate Similarity	NPC312199
0.8041	Intermediate Similarity	NPC193666
0.8041	Intermediate Similarity	NPC88640
0.8041	Intermediate Similarity	NPC156376
0.8041	Intermediate Similarity	NPC123526
0.8039	Intermediate Similarity	NPC226153
0.8039	Intermediate Similarity	NPC304048
0.8026	Intermediate Similarity	NPC205796
0.8026	Intermediate Similarity	NPC276753
0.8014	Intermediate Similarity	NPC19890
0.8014	Intermediate Similarity	NPC110958
0.8013	Intermediate Similarity	NPC471065
0.8013	Intermediate Similarity	NPC253015
0.8	Intermediate Similarity	NPC219671
0.8	Intermediate Similarity	NPC147616
0.8	Intermediate Similarity	NPC311057
0.8	Intermediate Similarity	NPC72046
0.8	Intermediate Similarity	NPC302506
0.8	Intermediate Similarity	NPC261812
0.8	Intermediate Similarity	NPC104077
0.8	Intermediate Similarity	NPC259742
0.8	Intermediate Similarity	NPC65183
0.8	Intermediate Similarity	NPC246947
0.7987	Intermediate Similarity	NPC56091
0.7986	Intermediate Similarity	NPC181079
0.7986	Intermediate Similarity	NPC173308
0.7973	Intermediate Similarity	NPC185908
0.7961	Intermediate Similarity	NPC286245
0.7961	Intermediate Similarity	NPC272619
0.7959	Intermediate Similarity	NPC135777
0.7959	Intermediate Similarity	NPC142547
0.7947	Intermediate Similarity	NPC265154
0.7947	Intermediate Similarity	NPC477898
0.7945	Intermediate Similarity	NPC205915
0.7943	Intermediate Similarity	NPC34902
0.7943	Intermediate Similarity	NPC18449
0.7943	Intermediate Similarity	NPC121783
0.7941	Intermediate Similarity	NPC81067
0.7941	Intermediate Similarity	NPC9341
0.7919	Intermediate Similarity	NPC113550
0.7895	Intermediate Similarity	NPC208994
0.7895	Intermediate Similarity	NPC84684
0.7895	Intermediate Similarity	NPC471063
0.7895	Intermediate Similarity	NPC238216
0.7895	Intermediate Similarity	NPC185388
0.7895	Intermediate Similarity	NPC84181
0.7881	Intermediate Similarity	NPC474295
0.7872	Intermediate Similarity	NPC249788
0.7871	Intermediate Similarity	NPC262455
0.7871	Intermediate Similarity	NPC177476
0.7867	Intermediate Similarity	NPC46591
0.7862	Intermediate Similarity	NPC473048
0.7857	Intermediate Similarity	NPC312713
0.7857	Intermediate Similarity	NPC57268
0.7857	Intermediate Similarity	NPC216929
0.7857	Intermediate Similarity	NPC172676
0.7857	Intermediate Similarity	NPC65933
0.7857	Intermediate Similarity	NPC126935
0.7852	Intermediate Similarity	NPC283949
0.7844	Intermediate Similarity	NPC475244
0.7843	Intermediate Similarity	NPC205316
0.7843	Intermediate Similarity	NPC235195
0.7843	Intermediate Similarity	NPC22150
0.7843	Intermediate Similarity	NPC279298
0.7843	Intermediate Similarity	NPC307205
0.7843	Intermediate Similarity	NPC38041
0.7843	Intermediate Similarity	NPC19862
0.7838	Intermediate Similarity	NPC184938
0.7838	Intermediate Similarity	NPC101624
0.7832	Intermediate Similarity	NPC274356
0.7829	Intermediate Similarity	NPC255566
0.7829	Intermediate Similarity	NPC298317
0.7821	Intermediate Similarity	NPC475722
0.7821	Intermediate Similarity	NPC475224
0.7815	Intermediate Similarity	NPC472711
0.7792	Intermediate Similarity	NPC112861
0.7792	Intermediate Similarity	NPC33832
0.7785	Intermediate Similarity	NPC143895
0.7785	Intermediate Similarity	NPC121651
0.7785	Intermediate Similarity	NPC102260
0.7785	Intermediate Similarity	NPC230968
0.7785	Intermediate Similarity	NPC11453
0.7784	Intermediate Similarity	NPC473467
0.7784	Intermediate Similarity	NPC475197
0.7778	Intermediate Similarity	NPC471667
0.7778	Intermediate Similarity	NPC217635
0.7778	Intermediate Similarity	NPC79429
0.777	Intermediate Similarity	NPC471942
0.7763	Intermediate Similarity	NPC472562
0.7763	Intermediate Similarity	NPC80326
0.7758	Intermediate Similarity	NPC286809
0.7756	Intermediate Similarity	NPC44452
0.7756	Intermediate Similarity	NPC35877
0.7756	Intermediate Similarity	NPC55715
0.7756	Intermediate Similarity	NPC95392
0.7755	Intermediate Similarity	NPC471505
0.7755	Intermediate Similarity	NPC106739
0.7748	Intermediate Similarity	NPC226547
0.7748	Intermediate Similarity	NPC103448
0.7748	Intermediate Similarity	NPC278076
0.7748	Intermediate Similarity	NPC216434
0.7742	Intermediate Similarity	NPC304687
0.7742	Intermediate Similarity	NPC101755
0.7742	Intermediate Similarity	NPC65574
0.7742	Intermediate Similarity	NPC99183
0.7742	Intermediate Similarity	NPC80230
0.7742	Intermediate Similarity	NPC104024
0.7737	Intermediate Similarity	NPC47194
0.7727	Intermediate Similarity	NPC469586
0.7727	Intermediate Similarity	NPC280717
0.7727	Intermediate Similarity	NPC43508
0.7727	Intermediate Similarity	NPC18979
0.7727	Intermediate Similarity	NPC271607
0.7727	Intermediate Similarity	NPC476301
0.7724	Intermediate Similarity	NPC82862
0.7724	Intermediate Similarity	NPC277458
0.7724	Intermediate Similarity	NPC222127
0.7724	Intermediate Similarity	NPC307050
0.7721	Intermediate Similarity	NPC165106
0.7718	Intermediate Similarity	NPC174191
0.7718	Intermediate Similarity	NPC150534
0.7718	Intermediate Similarity	NPC236522
0.7712	Intermediate Similarity	NPC113680
0.7712	Intermediate Similarity	NPC185307
0.7712	Intermediate Similarity	NPC278961
0.7712	Intermediate Similarity	NPC185071
0.7712	Intermediate Similarity	NPC12728
0.7712	Intermediate Similarity	NPC470950
0.7707	Intermediate Similarity	NPC470618
0.7707	Intermediate Similarity	NPC98624
0.7707	Intermediate Similarity	NPC470619
0.7707	Intermediate Similarity	NPC208785
0.7707	Intermediate Similarity	NPC145527
0.7703	Intermediate Similarity	NPC196937
0.7697	Intermediate Similarity	NPC58137
0.7697	Intermediate Similarity	NPC472791
0.7697	Intermediate Similarity	NPC472792
0.7697	Intermediate Similarity	NPC300798
0.7692	Intermediate Similarity	NPC181464
0.7692	Intermediate Similarity	NPC32017
0.7692	Intermediate Similarity	NPC96930
0.7692	Intermediate Similarity	NPC95990
0.7682	Intermediate Similarity	NPC260842
0.7673	Intermediate Similarity	NPC200645
0.7673	Intermediate Similarity	NPC475227

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC473575 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	371
0.1-0.2	932
0.2-0.3	1505
0.3-0.4	2874
0.4-0.5	1987
0.5-0.6	1090
0.6-0.7	367
0.7-0.8	35
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7857	Intermediate Similarity	NPD3705	Approved
0.7721	Intermediate Similarity	NPD5283	Phase 1
0.7622	Intermediate Similarity	NPD5327	Phase 3
0.7584	Intermediate Similarity	NPD3657	Discovery
0.7582	Intermediate Similarity	NPD6674	Discontinued
0.7547	Intermediate Similarity	NPD7028	Phase 2
0.7517	Intermediate Similarity	NPD3620	Phase 2
0.7517	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD5084	Clinical (unspecified phase)
0.744	Intermediate Similarity	NPD7228	Approved
0.7423	Intermediate Similarity	NPD4965	Approved
0.7423	Intermediate Similarity	NPD4967	Phase 2
0.7423	Intermediate Similarity	NPD4966	Approved
0.7394	Intermediate Similarity	NPD1357	Approved
0.7351	Intermediate Similarity	NPD5735	Approved
0.7333	Intermediate Similarity	NPD6234	Discontinued
0.7267	Intermediate Similarity	NPD7240	Approved
0.7246	Intermediate Similarity	NPD8127	Discontinued
0.7239	Intermediate Similarity	NPD37	Approved
0.7219	Intermediate Similarity	NPD8032	Phase 2
0.7197	Intermediate Similarity	NPD8166	Discontinued
0.719	Intermediate Similarity	NPD6353	Approved
0.7171	Intermediate Similarity	NPD4140	Approved
0.717	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7833	Phase 2
0.7169	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD7831	Phase 2
0.716	Intermediate Similarity	NPD7458	Discontinued
0.7143	Intermediate Similarity	NPD7119	Phase 2
0.7114	Intermediate Similarity	NPD4624	Approved
0.7107	Intermediate Similarity	NPD6783	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD4108	Discontinued
0.7041	Intermediate Similarity	NPD7199	Phase 2
0.7032	Intermediate Similarity	NPD7097	Phase 1
0.7006	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD7157	Approved
0.6981	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD4110	Phase 3
0.6974	Remote Similarity	NPD7095	Approved
0.6959	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6928	Remote Similarity	NPD5110	Phase 2
0.6928	Remote Similarity	NPD5109	Approved
0.6928	Remote Similarity	NPD5111	Phase 2
0.6923	Remote Similarity	NPD6895	Approved
0.6923	Remote Similarity	NPD6896	Approved
0.6898	Remote Similarity	NPD7680	Approved
0.6897	Remote Similarity	NPD5536	Phase 2
0.6879	Remote Similarity	NPD6028	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD6029	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD6273	Approved
0.6863	Remote Similarity	NPD3027	Phase 3
0.6839	Remote Similarity	NPD4060	Phase 1
0.6839	Remote Similarity	NPD2979	Phase 3
0.6829	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6829	Remote Similarity	NPD4727	Phase 1
0.6826	Remote Similarity	NPD7945	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD5585	Approved
0.6803	Remote Similarity	NPD5691	Approved
0.6797	Remote Similarity	NPD5752	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD7266	Discontinued
0.6786	Remote Similarity	NPD8455	Phase 2
0.6783	Remote Similarity	NPD7843	Approved
0.6783	Remote Similarity	NPD5535	Approved
0.677	Remote Similarity	NPD6331	Phase 2
0.677	Remote Similarity	NPD6658	Clinical (unspecified phase)
0.676	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD3095	Discontinued
0.6755	Remote Similarity	NPD8651	Approved
0.6752	Remote Similarity	NPD4097	Suspended
0.675	Remote Similarity	NPD7037	Approved
0.6735	Remote Similarity	NPD3091	Approved
0.6732	Remote Similarity	NPD5736	Approved
0.6732	Remote Similarity	NPD2861	Phase 2
0.673	Remote Similarity	NPD2438	Suspended
0.6713	Remote Similarity	NPD228	Approved
0.6711	Remote Similarity	NPD3094	Phase 2
0.671	Remote Similarity	NPD7294	Phase 1
0.6707	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6703	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.669	Remote Similarity	NPD5451	Approved
0.6689	Remote Similarity	NPD1651	Approved
0.6689	Remote Similarity	NPD3600	Clinical (unspecified phase)
0.6687	Remote Similarity	NPD5762	Approved
0.6687	Remote Similarity	NPD1375	Discontinued
0.6687	Remote Similarity	NPD5763	Approved
0.6686	Remote Similarity	NPD5563	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD7237	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6663	Approved
0.6667	Remote Similarity	NPD7003	Approved
0.6667	Remote Similarity	NPD1281	Approved
0.6667	Remote Similarity	NPD3092	Approved
0.6644	Remote Similarity	NPD6387	Discontinued
0.6629	Remote Similarity	NPD4481	Phase 3
0.6624	Remote Similarity	NPD3109	Approved
0.6624	Remote Similarity	NPD3110	Approved
0.6623	Remote Similarity	NPD2981	Phase 2
0.662	Remote Similarity	NPD2684	Approved
0.6609	Remote Similarity	NPD3051	Approved
0.6603	Remote Similarity	NPD5718	Phase 2
0.6603	Remote Similarity	NPD4907	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD7685	Pre-registration
0.6585	Remote Similarity	NPD7124	Phase 2
0.6585	Remote Similarity	NPD5058	Phase 3
0.6582	Remote Similarity	NPD6355	Discontinued
0.6581	Remote Similarity	NPD4908	Phase 1
0.6579	Remote Similarity	NPD2982	Phase 2
0.6579	Remote Similarity	NPD2983	Phase 2
0.6579	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD4359	Approved
0.6577	Remote Similarity	NPD3025	Approved
0.6577	Remote Similarity	NPD3024	Approved
0.6573	Remote Similarity	NPD3021	Approved
0.6573	Remote Similarity	NPD3022	Approved
0.6561	Remote Similarity	NPD554	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD7243	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD1611	Approved
0.6543	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD4579	Clinical (unspecified phase)
0.6536	Remote Similarity	NPD1283	Approved
0.6536	Remote Similarity	NPD7258	Clinical (unspecified phase)
0.6533	Remote Similarity	NPD5126	Approved
0.6533	Remote Similarity	NPD6516	Phase 2
0.6533	Remote Similarity	NPD4626	Approved
0.6533	Remote Similarity	NPD5846	Approved
0.6533	Remote Similarity	NPD5125	Phase 3
0.6529	Remote Similarity	NPD5722	Discontinued
0.6524	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD2161	Phase 2
0.6522	Remote Similarity	NPD2531	Phase 2
0.6519	Remote Similarity	NPD8312	Approved
0.6519	Remote Similarity	NPD8313	Approved
0.6519	Remote Similarity	NPD1612	Clinical (unspecified phase)
0.6519	Remote Similarity	NPD1613	Approved
0.6516	Remote Similarity	NPD3018	Phase 2
0.6513	Remote Similarity	NPD1840	Phase 2
0.6506	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6503	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD5494	Approved
0.6491	Remote Similarity	NPD2978	Approved
0.6491	Remote Similarity	NPD2977	Approved
0.649	Remote Similarity	NPD3026	Approved
0.649	Remote Similarity	NPD3023	Approved
0.6483	Remote Similarity	NPD1139	Approved
0.6483	Remote Similarity	NPD1137	Approved
0.648	Remote Similarity	NPD7074	Phase 3
0.6477	Remote Similarity	NPD2970	Approved
0.6477	Remote Similarity	NPD2969	Approved
0.6474	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD6873	Phase 2
0.6467	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD6830	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD1726	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD7265	Discontinued
0.6452	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD6584	Phase 3
0.6442	Remote Similarity	NPD1372	Clinical (unspecified phase)
0.6441	Remote Similarity	NPD27	Approved
0.6441	Remote Similarity	NPD2489	Approved
0.6438	Remote Similarity	NPD2492	Phase 1
0.6438	Remote Similarity	NPD2157	Approved
0.6438	Remote Similarity	NPD1138	Approved
0.6434	Remote Similarity	NPD1358	Approved
0.6433	Remote Similarity	NPD5714	Approved
0.6433	Remote Similarity	NPD2669	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD7313	Approved
0.6429	Remote Similarity	NPD6696	Suspended
0.6429	Remote Similarity	NPD7311	Approved
0.6429	Remote Similarity	NPD2922	Phase 1
0.6429	Remote Similarity	NPD7310	Approved
0.6429	Remote Similarity	NPD5699	Approved
0.6429	Remote Similarity	NPD7312	Approved
0.6425	Remote Similarity	NPD7054	Approved
0.6424	Remote Similarity	NPD5241	Discontinued
0.6424	Remote Similarity	NPD4059	Approved
0.6424	Remote Similarity	NPD3019	Approved
0.6419	Remote Similarity	NPD709	Approved
0.6412	Remote Similarity	NPD5713	Approved
0.641	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6407	Remote Similarity	NPD4584	Approved
0.6402	Remote Similarity	NPD4236	Phase 3
0.6402	Remote Similarity	NPD4237	Approved
0.64	Remote Similarity	NPD1182	Approved
0.64	Remote Similarity	NPD6580	Approved
0.64	Remote Similarity	NPD6581	Approved
0.6398	Remote Similarity	NPD6111	Discontinued
0.6393	Remote Similarity	NPD7309	Approved
0.6392	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6392	Remote Similarity	NPD6798	Discontinued
0.6391	Remote Similarity	NPD4210	Discontinued
0.6389	Remote Similarity	NPD7472	Approved
0.6379	Remote Similarity	NPD7975	Clinical (unspecified phase)
0.6378	Remote Similarity	NPD7906	Approved
0.6374	Remote Similarity	NPD7808	Phase 3
0.6369	Remote Similarity	NPD3818	Discontinued
0.6369	Remote Similarity	NPD7526	Approved
0.6369	Remote Similarity	NPD7527	Clinical (unspecified phase)
0.6369	Remote Similarity	NPD52	Approved
0.6364	Remote Similarity	NPD1669	Approved
0.6364	Remote Similarity	NPD3134	Approved

Structure

NPC473575 OpenBabel07101719512D 46 54 0 0 1 0 0 0 0 0999 V2000 6.1278 5.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 5.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9602 2.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2223 3.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 -0.3872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 1.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 -1.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 2.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3678 4.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 4.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5933 3.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7388 4.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2601 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 2.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7281 3.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0987 -0.5782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4345 5.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0032 0.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 3.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 1.9595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3090 0.9511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4190 2.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4895 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 4.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 0.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 4.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9859 4.1996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3462 3.1290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3090 0.9511 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6149 4.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9752 3.4796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7281 3.4983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2601 1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3555 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 4.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6919 0.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 5.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 25 1 0 0 0 0 6 9 2 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 25 2 0 0 0 0 17 33 1 0 0 0 0 18 26 2 0 0 0 0 18 34 1 0 0 0 0 19 27 1 0 0 0 0 19 40 1 0 0 0 0 20 29 2 0 0 0 0 20 40 1 0 0 0 0 21 28 1 0 0 0 0 21 41 1 0 0 0 0 22 29 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 45 1 0 0 0 0 24 44 1 0 0 0 0 24 46 1 0 0 0 0 27 7 1 6 0 0 0 27 29 1 0 0 0 0 28 15 1 6 0 0 0 28 30 1 0 0 0 0 30 16 1 1 0 0 0 30 37 1 0 0 0 0 31 33 2 0 0 0 0 31 43 1 0 0 0 0 32 34 2 0 0 0 0 32 44 1 0 0 0 0 33 45 1 0 0 0 0 34 46 1 0 0 0 0 35 38 1 0 0 0 0 35 39 1 6 0 0 0 36 39 1 6 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 39 3 1 6 0 0 0 40 14 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	24970695
ChEMBL	CHEMBL446210
ZINC

Physicochemical Properties

Molecular Weight:	626.36
ALogP:	0.7801
MLogP:	5.2
XLogP:	11.1
# Rotatable Bonds:	10
Polar Surface Area:	55.38
# H-Bond Aceptor:	2
# H-Bond Donor:	0
# Rings:	9
# Heavy Atoms:	46

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