NPASS Natural Product

Natural Product: NPC470426

Natural Product ID:	NPC470426
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C41H44O14
Standard InCHIKey:	GQSWOLDELFKZRI-VEAVMKOGSA-N
Standard InCHI:	InChI=1S/C41H44O14/c1-6-53-41-29(18(3)33(45)55-41)30-31-37(5,35(41)47)22-12-23(22)38(31,48)14-26-36(4)21-11-24(21)39(49)16-52-32(44)17(2)9-10-50-27(42)7-8-28(43)51-15-19-20(13-25(36)39)40(26,30)54-34(19)46/h9,21-26,48-49H,6-8,10-16H2,1-5H3/b17-9+/t21-,22-,23+,24+,25-,26+,36+,37+,38+,39+,40+,41+/m1/s1
Canonical SMILES:	CCO[C@]12OC(=O)C(=C1C1=C3[C@](C2=O)(C)[C@@H]2C[C@@H]2[C@@]3(O)C[C@@H]2[C@@]31OC(=O)C1=C3C[C@@H]3[C@]2(C)[C@@H]2C[C@@H]2[C@@]3(O)COC(=O)/C(=C/COC(=O)CCC(=O)OC1)/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
NPO21178	Chloranthus serratus	Species	Chloranthaceae	Eukaryota				PMID[22372956]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	10000	nM	17190448

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 NPC470426 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	225
0.1-0.2	1156
0.2-0.3	3205
0.3-0.4	5130
0.4-0.5	9688
0.5-0.6	6631
0.6-0.7	3728
0.7-0.8	1087
0.8-0.85	17
0.85-0.9	12
0.9-0.95	8
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9845	High Similarity	NPC476825
0.9769	High Similarity	NPC25887
0.916	High Similarity	NPC60150
0.916	High Similarity	NPC192334
0.9084	High Similarity	NPC24599
0.9084	High Similarity	NPC470427
0.9084	High Similarity	NPC469674
0.9084	High Similarity	NPC327664
0.9084	High Similarity	NPC476097
0.9008	High Similarity	NPC476824
0.8931	High Similarity	NPC254823
0.8855	High Similarity	NPC134902
0.8797	High Similarity	NPC58029
0.8797	High Similarity	NPC469673
0.8731	High Similarity	NPC476823
0.8722	High Similarity	NPC34963
0.8647	High Similarity	NPC220757
0.8647	High Similarity	NPC241935
0.8647	High Similarity	NPC196921
0.8647	High Similarity	NPC279478
0.8571	High Similarity	NPC35109
0.855	High Similarity	NPC226049
0.8485	Intermediate Similarity	NPC63186
0.8473	Intermediate Similarity	NPC84865
0.8397	Intermediate Similarity	NPC27335
0.8346	Intermediate Similarity	NPC15095
0.8188	Intermediate Similarity	NPC471234
0.8148	Intermediate Similarity	NPC287423
0.8088	Intermediate Similarity	NPC311534
0.806	Intermediate Similarity	NPC120724
0.8056	Intermediate Similarity	NPC471172
0.8043	Intermediate Similarity	NPC471855
0.8029	Intermediate Similarity	NPC470880
0.8015	Intermediate Similarity	NPC42399
0.8015	Intermediate Similarity	NPC473265
0.8015	Intermediate Similarity	NPC473253
0.8015	Intermediate Similarity	NPC470882
0.8	Intermediate Similarity	NPC48813
0.8	Intermediate Similarity	NPC194854
0.7986	Intermediate Similarity	NPC88668
0.7986	Intermediate Similarity	NPC471171
0.7971	Intermediate Similarity	NPC213634
0.797	Intermediate Similarity	NPC17938
0.7956	Intermediate Similarity	NPC236999
0.7956	Intermediate Similarity	NPC473888
0.7945	Intermediate Similarity	NPC16729
0.7945	Intermediate Similarity	NPC475462
0.791	Intermediate Similarity	NPC46570
0.7899	Intermediate Similarity	NPC471407
0.7899	Intermediate Similarity	NPC231529
0.7895	Intermediate Similarity	NPC472933
0.7872	Intermediate Similarity	NPC171619
0.7868	Intermediate Similarity	NPC470922
0.7852	Intermediate Similarity	NPC107493
0.7852	Intermediate Similarity	NPC269642
0.7842	Intermediate Similarity	NPC173347
0.7826	Intermediate Similarity	NPC245094
0.7817	Intermediate Similarity	NPC68282
0.781	Intermediate Similarity	NPC47113
0.781	Intermediate Similarity	NPC473635
0.781	Intermediate Similarity	NPC174367
0.7801	Intermediate Similarity	NPC478072
0.7801	Intermediate Similarity	NPC475500
0.7801	Intermediate Similarity	NPC475154
0.7801	Intermediate Similarity	NPC100017
0.7801	Intermediate Similarity	NPC182266
0.7801	Intermediate Similarity	NPC473548
0.7801	Intermediate Similarity	NPC223356
0.7801	Intermediate Similarity	NPC471136
0.7801	Intermediate Similarity	NPC471137
0.7794	Intermediate Similarity	NPC469789
0.7793	Intermediate Similarity	NPC5153
0.7793	Intermediate Similarity	NPC48414
0.7786	Intermediate Similarity	NPC476193
0.7786	Intermediate Similarity	NPC231240
0.7786	Intermediate Similarity	NPC471204
0.7786	Intermediate Similarity	NPC472926
0.7778	Intermediate Similarity	NPC202051
0.777	Intermediate Similarity	NPC473593
0.7761	Intermediate Similarity	NPC9674
0.7761	Intermediate Similarity	NPC19028
0.7761	Intermediate Similarity	NPC305260
0.7761	Intermediate Similarity	NPC477092
0.7761	Intermediate Similarity	NPC270850
0.7761	Intermediate Similarity	NPC5292
0.7754	Intermediate Similarity	NPC469757
0.7754	Intermediate Similarity	NPC471357
0.7754	Intermediate Similarity	NPC152091
0.7754	Intermediate Similarity	NPC146456
0.7754	Intermediate Similarity	NPC298841
0.7754	Intermediate Similarity	NPC117702
0.7744	Intermediate Similarity	NPC472927
0.7744	Intermediate Similarity	NPC239273
0.7744	Intermediate Similarity	NPC472934
0.7737	Intermediate Similarity	NPC32868
0.7737	Intermediate Similarity	NPC473255
0.7737	Intermediate Similarity	NPC8369
0.7737	Intermediate Similarity	NPC241456
0.7737	Intermediate Similarity	NPC8374
0.773	Intermediate Similarity	NPC316915
0.7721	Intermediate Similarity	NPC23786
0.7721	Intermediate Similarity	NPC470265
0.7721	Intermediate Similarity	NPC222688
0.7714	Intermediate Similarity	NPC475389
0.7714	Intermediate Similarity	NPC473838
0.7714	Intermediate Similarity	NPC471170
0.7714	Intermediate Similarity	NPC476852
0.7704	Intermediate Similarity	NPC472004
0.7704	Intermediate Similarity	NPC474585
0.7698	Intermediate Similarity	NPC473620
0.7698	Intermediate Similarity	NPC476859
0.7687	Intermediate Similarity	NPC257457
0.7687	Intermediate Similarity	NPC118638
0.7687	Intermediate Similarity	NPC153440
0.7687	Intermediate Similarity	NPC475401
0.7687	Intermediate Similarity	NPC311554
0.7681	Intermediate Similarity	NPC222307
0.7681	Intermediate Similarity	NPC93368
0.7681	Intermediate Similarity	NPC293112
0.7669	Intermediate Similarity	NPC148458
0.7669	Intermediate Similarity	NPC270958
0.7669	Intermediate Similarity	NPC190286
0.7664	Intermediate Similarity	NPC27363
0.7664	Intermediate Similarity	NPC129992
0.7664	Intermediate Similarity	NPC472399
0.7664	Intermediate Similarity	NPC1980
0.7664	Intermediate Similarity	NPC238005
0.7664	Intermediate Similarity	NPC473979
0.7664	Intermediate Similarity	NPC204812
0.7664	Intermediate Similarity	NPC141196
0.766	Intermediate Similarity	NPC474508
0.766	Intermediate Similarity	NPC473485
0.766	Intermediate Similarity	NPC472769
0.766	Intermediate Similarity	NPC180902
0.766	Intermediate Similarity	NPC475139
0.7652	Intermediate Similarity	NPC202889
0.7647	Intermediate Similarity	NPC472000
0.7647	Intermediate Similarity	NPC472001
0.7647	Intermediate Similarity	NPC67569
0.7647	Intermediate Similarity	NPC471999
0.7643	Intermediate Similarity	NPC86159
0.7643	Intermediate Similarity	NPC471359
0.7643	Intermediate Similarity	NPC180079
0.7643	Intermediate Similarity	NPC9499
0.7643	Intermediate Similarity	NPC284406
0.7643	Intermediate Similarity	NPC221414
0.7643	Intermediate Similarity	NPC469752
0.7643	Intermediate Similarity	NPC10823
0.7643	Intermediate Similarity	NPC471358
0.7643	Intermediate Similarity	NPC476966
0.7643	Intermediate Similarity	NPC219085
0.7643	Intermediate Similarity	NPC469754
0.7643	Intermediate Similarity	NPC251866
0.7643	Intermediate Similarity	NPC17896
0.7643	Intermediate Similarity	NPC469753
0.7643	Intermediate Similarity	NPC476851
0.7643	Intermediate Similarity	NPC70542
0.7643	Intermediate Similarity	NPC6108
0.7643	Intermediate Similarity	NPC471352
0.7643	Intermediate Similarity	NPC469751
0.7643	Intermediate Similarity	NPC89514
0.7643	Intermediate Similarity	NPC104382
0.7643	Intermediate Similarity	NPC197707
0.7643	Intermediate Similarity	NPC469755
0.7643	Intermediate Similarity	NPC175186
0.7643	Intermediate Similarity	NPC471360
0.7643	Intermediate Similarity	NPC471361
0.7643	Intermediate Similarity	NPC472770
0.763	Intermediate Similarity	NPC180640
0.763	Intermediate Similarity	NPC475041
0.7626	Intermediate Similarity	NPC471940
0.7626	Intermediate Similarity	NPC329784
0.7626	Intermediate Similarity	NPC240070
0.7612	Intermediate Similarity	NPC471854
0.7612	Intermediate Similarity	NPC475305
0.7612	Intermediate Similarity	NPC23046
0.7609	Intermediate Similarity	NPC81736
0.7609	Intermediate Similarity	NPC475194
0.7609	Intermediate Similarity	NPC3381
0.7609	Intermediate Similarity	NPC172154
0.7609	Intermediate Similarity	NPC318135
0.7609	Intermediate Similarity	NPC145238
0.7606	Intermediate Similarity	NPC475487
0.7606	Intermediate Similarity	NPC32793
0.7606	Intermediate Similarity	NPC247190
0.7606	Intermediate Similarity	NPC116075
0.7606	Intermediate Similarity	NPC469749
0.7606	Intermediate Similarity	NPC142756
0.7606	Intermediate Similarity	NPC168879
0.7606	Intermediate Similarity	NPC146857
0.7594	Intermediate Similarity	NPC178289
0.7591	Intermediate Similarity	NPC170538
0.7591	Intermediate Similarity	NPC19464
0.7591	Intermediate Similarity	NPC153700
0.7591	Intermediate Similarity	NPC28532
0.7591	Intermediate Similarity	NPC88326
0.7591	Intermediate Similarity	NPC470419
0.7589	Intermediate Similarity	NPC475606
0.7589	Intermediate Similarity	NPC477189
0.7589	Intermediate Similarity	NPC476855

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470426 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	239
0.1-0.2	1634
0.2-0.3	3691
0.3-0.4	2366
0.4-0.5	745
0.5-0.6	282
0.6-0.7	150
0.7-0.8	54
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
0.7883	Intermediate Similarity	NPD7078	Approved
0.7737	Intermediate Similarity	NPD7492	Approved
0.7704	Intermediate Similarity	NPD6054	Approved
0.7698	Intermediate Similarity	NPD7736	Approved
0.7681	Intermediate Similarity	NPD6616	Approved
0.7643	Intermediate Similarity	NPD7319	Approved
0.7626	Intermediate Similarity	NPD8293	Discontinued
0.7591	Intermediate Similarity	NPD6370	Approved
0.7574	Intermediate Similarity	NPD6059	Approved
0.7574	Intermediate Similarity	NPD6319	Approved
0.7554	Intermediate Similarity	NPD7507	Approved
0.7518	Intermediate Similarity	NPD6015	Approved
0.7518	Intermediate Similarity	NPD6016	Approved
0.7464	Intermediate Similarity	NPD5988	Approved
0.7444	Intermediate Similarity	NPD6882	Approved
0.7444	Intermediate Similarity	NPD8297	Approved
0.7368	Intermediate Similarity	NPD6650	Approved
0.7368	Intermediate Similarity	NPD6649	Approved
0.7353	Intermediate Similarity	NPD7115	Discovery
0.7353	Intermediate Similarity	NPD6009	Approved
0.7348	Intermediate Similarity	NPD6372	Approved
0.7348	Intermediate Similarity	NPD6373	Approved
0.7273	Intermediate Similarity	NPD7320	Approved
0.7163	Intermediate Similarity	NPD8328	Phase 3
0.7163	Intermediate Similarity	NPD7604	Phase 2
0.7143	Intermediate Similarity	NPD6899	Approved
0.7143	Intermediate Similarity	NPD6881	Approved
0.7143	Intermediate Similarity	NPD8033	Approved
0.7132	Intermediate Similarity	NPD4632	Approved
0.7121	Intermediate Similarity	NPD6675	Approved
0.7121	Intermediate Similarity	NPD5739	Approved
0.7121	Intermediate Similarity	NPD6402	Approved
0.7121	Intermediate Similarity	NPD7128	Approved
0.7111	Intermediate Similarity	NPD8130	Phase 1
0.7083	Intermediate Similarity	NPD6033	Approved
0.7071	Intermediate Similarity	NPD8294	Approved
0.7071	Intermediate Similarity	NPD8377	Approved
0.7068	Intermediate Similarity	NPD5697	Approved
0.705	Intermediate Similarity	NPD7327	Approved
0.705	Intermediate Similarity	NPD7328	Approved
0.7037	Intermediate Similarity	NPD6883	Approved
0.7037	Intermediate Similarity	NPD7102	Approved
0.7037	Intermediate Similarity	NPD7290	Approved
0.7021	Intermediate Similarity	NPD8380	Approved
0.7021	Intermediate Similarity	NPD8335	Approved
0.7021	Intermediate Similarity	NPD8378	Approved
0.7021	Intermediate Similarity	NPD8513	Phase 3
0.7021	Intermediate Similarity	NPD8515	Approved
0.7021	Intermediate Similarity	NPD7503	Approved
0.7021	Intermediate Similarity	NPD8379	Approved
0.7021	Intermediate Similarity	NPD8517	Approved
0.7021	Intermediate Similarity	NPD8516	Approved
0.7021	Intermediate Similarity	NPD8296	Approved
0.7	Intermediate Similarity	NPD7516	Approved
0.6992	Remote Similarity	NPD6008	Approved
0.6985	Remote Similarity	NPD6617	Approved
0.6985	Remote Similarity	NPD6847	Approved
0.6985	Remote Similarity	NPD6869	Approved
0.6963	Remote Similarity	NPD6014	Approved
0.6963	Remote Similarity	NPD6012	Approved
0.6963	Remote Similarity	NPD6013	Approved
0.694	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.694	Remote Similarity	NPD5701	Approved
0.6912	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6912	Remote Similarity	NPD6371	Approved
0.6912	Remote Similarity	NPD4634	Approved
0.6901	Remote Similarity	NPD5983	Phase 2
0.6889	Remote Similarity	NPD6011	Approved
0.6889	Remote Similarity	NPD6686	Approved
0.6857	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6828	Remote Similarity	NPD6336	Discontinued
0.6824	Remote Similarity	NPD7260	Phase 2
0.6822	Remote Similarity	NPD5695	Phase 3
0.6812	Remote Similarity	NPD6053	Discontinued
0.6781	Remote Similarity	NPD8074	Phase 3
0.6767	Remote Similarity	NPD5211	Phase 2
0.6739	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD7799	Discontinued
0.6718	Remote Similarity	NPD6084	Phase 2
0.6718	Remote Similarity	NPD6083	Phase 2
0.6715	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD6412	Phase 2
0.6691	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6274	Approved
0.6667	Remote Similarity	NPD5696	Approved
0.6667	Remote Similarity	NPD6845	Suspended
0.6667	Remote Similarity	NPD5141	Approved
0.6643	Remote Similarity	NPD7101	Approved
0.6643	Remote Similarity	NPD7100	Approved
0.6642	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD5285	Approved
0.6617	Remote Similarity	NPD7640	Approved
0.6617	Remote Similarity	NPD5286	Approved
0.6617	Remote Similarity	NPD4696	Approved
0.6617	Remote Similarity	NPD7639	Approved
0.6594	Remote Similarity	NPD8132	Clinical (unspecified phase)
0.6591	Remote Similarity	NPD4755	Approved
0.6589	Remote Similarity	NPD6050	Approved
0.6573	Remote Similarity	NPD6335	Approved
0.6565	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD7638	Approved
0.6541	Remote Similarity	NPD4225	Approved
0.6533	Remote Similarity	NPD5956	Approved
0.6525	Remote Similarity	NPD8133	Approved
0.6519	Remote Similarity	NPD5225	Approved
0.6519	Remote Similarity	NPD5226	Approved
0.6519	Remote Similarity	NPD4633	Approved
0.6519	Remote Similarity	NPD5224	Approved
0.6512	Remote Similarity	NPD5692	Phase 3
0.6503	Remote Similarity	NPD6317	Approved
0.6494	Remote Similarity	NPD7966	Clinical (unspecified phase)
0.6493	Remote Similarity	NPD4700	Approved
0.6489	Remote Similarity	NPD6001	Approved
0.6471	Remote Similarity	NPD5175	Approved
0.6471	Remote Similarity	NPD5174	Approved
0.6462	Remote Similarity	NPD5694	Approved
0.6462	Remote Similarity	NPD5284	Approved
0.6462	Remote Similarity	NPD5281	Approved
0.6462	Remote Similarity	NPD5693	Phase 1
0.6458	Remote Similarity	NPD6313	Approved
0.6458	Remote Similarity	NPD6314	Approved
0.6444	Remote Similarity	NPD5223	Approved
0.6438	Remote Similarity	NPD6909	Approved
0.6438	Remote Similarity	NPD6908	Approved
0.6438	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6418	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6412	Remote Similarity	NPD6399	Phase 3
0.6403	Remote Similarity	NPD4729	Approved
0.6403	Remote Similarity	NPD4730	Approved
0.6383	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6377	Remote Similarity	NPD4767	Approved
0.6377	Remote Similarity	NPD4768	Approved
0.6346	Remote Similarity	NPD6333	Approved
0.6346	Remote Similarity	NPD6334	Approved
0.6343	Remote Similarity	NPD5959	Approved
0.6312	Remote Similarity	NPD5248	Approved
0.6312	Remote Similarity	NPD5250	Approved
0.6312	Remote Similarity	NPD5247	Approved
0.6312	Remote Similarity	NPD5251	Approved
0.6312	Remote Similarity	NPD5249	Phase 3
0.6308	Remote Similarity	NPD6080	Approved
0.6308	Remote Similarity	NPD6904	Approved
0.6308	Remote Similarity	NPD6673	Approved
0.6288	Remote Similarity	NPD5778	Approved
0.6288	Remote Similarity	NPD5779	Approved
0.6286	Remote Similarity	NPD5128	Approved
0.6269	Remote Similarity	NPD4697	Phase 3
0.626	Remote Similarity	NPD5207	Approved
0.6258	Remote Similarity	NPD7236	Approved
0.625	Remote Similarity	NPD6648	Approved
0.6242	Remote Similarity	NPD6067	Discontinued
0.6232	Remote Similarity	NPD4754	Approved
0.6231	Remote Similarity	NPD6672	Approved
0.6231	Remote Similarity	NPD5737	Approved
0.6222	Remote Similarity	NPD7902	Approved
0.6216	Remote Similarity	NPD6921	Approved
0.6212	Remote Similarity	NPD7983	Approved
0.6207	Remote Similarity	NPD6868	Approved
0.6204	Remote Similarity	NPD1700	Approved
0.6204	Remote Similarity	NPD5344	Discontinued
0.6202	Remote Similarity	NPD4694	Approved
0.6202	Remote Similarity	NPD5280	Approved
0.6194	Remote Similarity	NPD5210	Approved
0.6194	Remote Similarity	NPD5654	Approved
0.6194	Remote Similarity	NPD4629	Approved
0.6183	Remote Similarity	NPD4753	Phase 2
0.6168	Remote Similarity	NPD7239	Suspended
0.6159	Remote Similarity	NPD7632	Discontinued
0.6154	Remote Similarity	NPD5216	Approved
0.6154	Remote Similarity	NPD5217	Approved
0.6154	Remote Similarity	NPD5215	Approved
0.6148	Remote Similarity	NPD5222	Approved
0.6148	Remote Similarity	NPD5221	Approved
0.6148	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6136	Remote Similarity	NPD5785	Approved
0.6111	Remote Similarity	NPD8368	Discontinued
0.6107	Remote Similarity	NPD6903	Approved
0.6103	Remote Similarity	NPD5173	Approved
0.6099	Remote Similarity	NPD8407	Phase 2
0.609	Remote Similarity	NPD6079	Approved
0.609	Remote Similarity	NPD6411	Approved
0.6084	Remote Similarity	NPD5169	Approved
0.6084	Remote Similarity	NPD5135	Approved
0.6084	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6078	Remote Similarity	NPD8337	Approved
0.6078	Remote Similarity	NPD8336	Approved
0.6077	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6077	Remote Similarity	NPD6098	Approved
0.6077	Remote Similarity	NPD5690	Phase 2
0.6061	Remote Similarity	NPD5328	Approved
0.6045	Remote Similarity	NPD5133	Approved
0.6045	Remote Similarity	NPD4202	Approved
0.6042	Remote Similarity	NPD5127	Approved
0.6037	Remote Similarity	NPD7625	Phase 1
0.6026	Remote Similarity	NPD7830	Approved
0.6026	Remote Similarity	NPD7829	Approved
0.6026	Remote Similarity	NPD8338	Approved
0.6015	Remote Similarity	NPD7838	Discovery
0.6015	Remote Similarity	NPD46	Approved
0.6015	Remote Similarity	NPD6698	Approved

Structure

NPC470426 OpenBabel07101719402D 55 64 0 0 1 0 0 0 0 0999 V2000 -2.6015 -1.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5799 -3.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -0.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7118 -3.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -1.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 -2.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 0.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9729 -2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9894 -1.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2936 -5.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 -3.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -3.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9786 -4.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -2.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 -0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 -1.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8938 -4.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3771 -2.8079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7993 -3.6031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8714 -4.8551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5407 -3.2994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8381 -3.2994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3501 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3681 0.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7285 -1.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9869 -1.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1356 -2.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 -3.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 0.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -1.2191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -3.7909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7993 -2.0127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1356 -3.2994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2712 -3.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8381 -2.3164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0239 -0.7989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0324 0.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 1.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9254 -4.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 1.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -2.0139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 -0.6899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 -4.1974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0591 -3.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -0.8905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7101 -0.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 -3.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3255 -2.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5997 -2.4452 0.0000 O 0 0 0 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 6 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 6 53 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 50 1 0 0 0 0 11 21 1 0 0 0 0 11 24 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 20 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 51 1 0 0 0 0 16 39 1 0 0 0 0 16 52 1 0 0 0 0 17 32 1 0 0 0 0 18 29 2 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 1 0 0 0 22 23 1 0 0 0 0 22 37 1 1 0 0 0 23 38 1 1 0 0 0 24 39 1 1 0 0 0 25 36 1 1 0 0 0 25 39 1 0 0 0 0 26 36 1 6 0 0 0 26 40 1 0 0 0 0 27 42 2 0 0 0 0 27 50 1 0 0 0 0 28 43 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 30 31 2 0 0 0 0 30 40 1 0 0 0 0 31 37 1 0 0 0 0 31 38 1 0 0 0 0 32 44 2 0 0 0 0 32 52 1 0 0 0 0 33 45 2 0 0 0 0 33 55 1 0 0 0 0 34 46 2 0 0 0 0 34 54 1 0 0 0 0 35 37 1 0 0 0 0 35 41 1 0 0 0 0 35 47 2 0 0 0 0 36 4 1 1 0 0 0 37 5 1 1 0 0 0 38 48 1 1 0 0 0 39 49 1 1 0 0 0 40 20 1 6 0 0 0 40 54 1 0 0 0 0 41 53 1 6 0 0 0 41 55 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	57409860
ChEMBL	CHEMBL2036047
ZINC

Physicochemical Properties

Molecular Weight:	760.27
ALogP:	-0.0822
MLogP:	4.43
XLogP:	0.109
# Rotatable Bonds:	9
Polar Surface Area:	198.26
# H-Bond Aceptor:	14
# H-Bond Donor:	2
# Rings:	10
# Heavy Atoms:	55

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