NPASS Natural Product

Natural Product: NPC73656

Natural Product ID:	NPC73656
Common Name:	Riccardi C
IUPAC Name:
Synonyms:	Riccardi C; Riccardin C
Molecular Formula:	C28H24O4
Standard InCHIKey:	JMKSVONWZFVEAI-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2
Canonical SMILES:	Oc1ccc2c(c1)CCc1ccc(cc1)Oc1cc(CCc3ccc2c(O)c3)ccc1O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO33046	liverworts	NA	NA	NA	PMID[16378374]
NPO33046	liverworts	NA	NA	NA	PMID[21652215]
NPO19581	Marchantia polymorpha	Species	Marchantiaceae	Eukaryota	HerDing*
NPO19581	Marchantia polymorpha	Species	Marchantiaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
IC50	6
MIC	9
Others	3

Activity Type	# Activity
Cell Line	3
Individual Protein	3
Organism	7
Others	4
Tissue	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	9900	nM	18343126
NPT1794	Individual Protein	LXR-alpha	Homo sapiens	IC50	=	4900	nM	18343126
NPT1746	Individual Protein	LXR-beta	Homo sapiens	IC50	=	6600	nM	18343126
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	>	100000	nM	16378374
NPT1794	Individual Protein	LXR-alpha	Homo sapiens	FC	=	15		19103488
NPT177	Tissue	Aorta	Rattus norvegicus	Inhibition	>	60	%	21652215
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	3.2	ug/ml	23122868
NPT2	Others	Unspecified		MIC	=	2	ug/ml	24239015
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2	ug/ml	24239015
NPT2	Others	Unspecified		IC50	=	50000	nM	10.1039/C2MD20199B
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	3220	nM	10.1039/C2MD20199B
NPT306	Cell Line	PC-3	Homo sapiens	Activity	=	6.21	%	10.1039/C2MD20199B
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	2	ug/ml	26995530

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 NPC73656 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	341
0.1-0.2	1467
0.2-0.3	2903
0.3-0.4	8856
0.4-0.5	4090
0.5-0.6	3000
0.6-0.7	6661
0.7-0.8	3071
0.8-0.85	418
0.85-0.9	75
0.9-0.95	3
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.9843	High Similarity	NPC141023
0.9685	High Similarity	NPC189482
0.952	High Similarity	NPC156854
0.952	High Similarity	NPC134431
0.9297	High Similarity	NPC210655
0.9213	High Similarity	NPC17837
0.9213	High Similarity	NPC304630
0.8963	High Similarity	NPC55947
0.8947	High Similarity	NPC256307
0.8947	High Similarity	NPC66840
0.8939	High Similarity	NPC228843
0.8905	High Similarity	NPC183709
0.8837	High Similarity	NPC228771
0.8837	High Similarity	NPC266705
0.8837	High Similarity	NPC29008
0.8832	High Similarity	NPC472089
0.8797	High Similarity	NPC303144
0.8797	High Similarity	NPC131128
0.8797	High Similarity	NPC474134
0.8768	High Similarity	NPC472088
0.8768	High Similarity	NPC472087
0.872	High Similarity	NPC86947
0.8692	High Similarity	NPC28476
0.8692	High Similarity	NPC9067
0.8692	High Similarity	NPC133407
0.8686	High Similarity	NPC275061
0.8686	High Similarity	NPC243996
0.8686	High Similarity	NPC220344
0.8686	High Similarity	NPC132804
0.8636	High Similarity	NPC307050
0.8636	High Similarity	NPC277458
0.8623	High Similarity	NPC308768
0.8623	High Similarity	NPC20520
0.8623	High Similarity	NPC12668
0.8623	High Similarity	NPC22317
0.8623	High Similarity	NPC472090
0.8623	High Similarity	NPC61783
0.8623	High Similarity	NPC472091
0.8623	High Similarity	NPC472092
0.8613	High Similarity	NPC56329
0.8613	High Similarity	NPC266453
0.8613	High Similarity	NPC200935
0.8613	High Similarity	NPC35550
0.8613	High Similarity	NPC242715
0.8613	High Similarity	NPC48956
0.8613	High Similarity	NPC22902
0.8613	High Similarity	NPC230919
0.8603	High Similarity	NPC158142
0.8603	High Similarity	NPC69029
0.8603	High Similarity	NPC200557
0.8603	High Similarity	NPC10314
0.8603	High Similarity	NPC108198
0.8603	High Similarity	NPC294884
0.8571	High Similarity	NPC163508
0.8571	High Similarity	NPC173203
0.8551	High Similarity	NPC218131
0.8551	High Similarity	NPC243759
0.8551	High Similarity	NPC105847
0.854	High Similarity	NPC114155
0.854	High Similarity	NPC300846
0.854	High Similarity	NPC202846
0.854	High Similarity	NPC143139
0.854	High Similarity	NPC476639
0.854	High Similarity	NPC30632
0.8531	High Similarity	NPC329836
0.8529	High Similarity	NPC125649
0.8527	High Similarity	NPC127389
0.8527	High Similarity	NPC290451
0.8521	High Similarity	NPC126291
0.8516	High Similarity	NPC232316
0.8516	High Similarity	NPC56214
0.8516	High Similarity	NPC227217
0.8516	High Similarity	NPC95614
0.8516	High Similarity	NPC165133
0.8516	High Similarity	NPC242885
0.8516	High Similarity	NPC117780
0.8511	High Similarity	NPC304894
0.8511	High Similarity	NPC15659
0.8504	High Similarity	NPC470626
0.85	High Similarity	NPC277784
0.85	High Similarity	NPC186033
0.85	High Similarity	NPC175838
0.8496	Intermediate Similarity	NPC201069
0.8496	Intermediate Similarity	NPC23012
0.8478	Intermediate Similarity	NPC272157
0.8478	Intermediate Similarity	NPC90615
0.8478	Intermediate Similarity	NPC266006
0.8478	Intermediate Similarity	NPC25111
0.8478	Intermediate Similarity	NPC6262
0.8478	Intermediate Similarity	NPC73535
0.8478	Intermediate Similarity	NPC151656
0.8478	Intermediate Similarity	NPC474390
0.8478	Intermediate Similarity	NPC201145
0.8472	Intermediate Similarity	NPC318373
0.8472	Intermediate Similarity	NPC476969
0.8472	Intermediate Similarity	NPC321657
0.8467	Intermediate Similarity	NPC313081
0.8467	Intermediate Similarity	NPC241241
0.8462	Intermediate Similarity	NPC262297
0.8462	Intermediate Similarity	NPC30462
0.8438	Intermediate Similarity	NPC281298
0.8438	Intermediate Similarity	NPC310338
0.8429	Intermediate Similarity	NPC470372
0.8425	Intermediate Similarity	NPC476391
0.8425	Intermediate Similarity	NPC293619
0.8421	Intermediate Similarity	NPC21563
0.8421	Intermediate Similarity	NPC106511
0.8417	Intermediate Similarity	NPC212942
0.8417	Intermediate Similarity	NPC29868
0.8417	Intermediate Similarity	NPC79622
0.8397	Intermediate Similarity	NPC31344
0.8397	Intermediate Similarity	NPC317769
0.8394	Intermediate Similarity	NPC311256
0.8394	Intermediate Similarity	NPC160697
0.8394	Intermediate Similarity	NPC478085
0.8394	Intermediate Similarity	NPC471942
0.8392	Intermediate Similarity	NPC233980
0.8392	Intermediate Similarity	NPC95652
0.8392	Intermediate Similarity	NPC150714
0.8385	Intermediate Similarity	NPC38996
0.8385	Intermediate Similarity	NPC160380
0.8382	Intermediate Similarity	NPC227002
0.838	Intermediate Similarity	NPC469795
0.838	Intermediate Similarity	NPC171932
0.838	Intermediate Similarity	NPC28440
0.8372	Intermediate Similarity	NPC103916
0.837	Intermediate Similarity	NPC126836
0.8357	Intermediate Similarity	NPC198038
0.8357	Intermediate Similarity	NPC234568
0.8357	Intermediate Similarity	NPC295719
0.8357	Intermediate Similarity	NPC165026
0.8357	Intermediate Similarity	NPC73505
0.8357	Intermediate Similarity	NPC262189
0.8357	Intermediate Similarity	NPC34431
0.8333	Intermediate Similarity	NPC275125
0.8333	Intermediate Similarity	NPC261873
0.8333	Intermediate Similarity	NPC111655
0.8333	Intermediate Similarity	NPC170239
0.8333	Intermediate Similarity	NPC283009
0.8333	Intermediate Similarity	NPC97937
0.8333	Intermediate Similarity	NPC474397
0.8321	Intermediate Similarity	NPC85488
0.8321	Intermediate Similarity	NPC32778
0.8321	Intermediate Similarity	NPC36661
0.831	Intermediate Similarity	NPC469630
0.8309	Intermediate Similarity	NPC8899
0.8308	Intermediate Similarity	NPC207613
0.8298	Intermediate Similarity	NPC178054
0.8298	Intermediate Similarity	NPC71046
0.8298	Intermediate Similarity	NPC265075
0.8296	Intermediate Similarity	NPC474227
0.8288	Intermediate Similarity	NPC472837
0.8286	Intermediate Similarity	NPC184613
0.8286	Intermediate Similarity	NPC22517
0.8286	Intermediate Similarity	NPC260842
0.8284	Intermediate Similarity	NPC470699
0.8281	Intermediate Similarity	NPC299180
0.8273	Intermediate Similarity	NPC77861
0.8273	Intermediate Similarity	NPC234952
0.8273	Intermediate Similarity	NPC270456
0.8273	Intermediate Similarity	NPC205442
0.8273	Intermediate Similarity	NPC248727
0.8273	Intermediate Similarity	NPC162659
0.8273	Intermediate Similarity	NPC265433
0.8271	Intermediate Similarity	NPC194519
0.8271	Intermediate Similarity	NPC3221
0.8261	Intermediate Similarity	NPC49603
0.8261	Intermediate Similarity	NPC209199
0.8261	Intermediate Similarity	NPC193026
0.8261	Intermediate Similarity	NPC317380
0.8261	Intermediate Similarity	NPC71372
0.8261	Intermediate Similarity	NPC187616
0.8261	Intermediate Similarity	NPC103967
0.8258	Intermediate Similarity	NPC280704
0.8255	Intermediate Similarity	NPC125709
0.8255	Intermediate Similarity	NPC292385
0.8252	Intermediate Similarity	NPC473108
0.8248	Intermediate Similarity	NPC469611
0.8248	Intermediate Similarity	NPC202762
0.8248	Intermediate Similarity	NPC14224
0.8248	Intermediate Similarity	NPC161958
0.8248	Intermediate Similarity	NPC86655
0.8248	Intermediate Similarity	NPC127624
0.8244	Intermediate Similarity	NPC324571
0.8244	Intermediate Similarity	NPC54872
0.8244	Intermediate Similarity	NPC184651
0.8244	Intermediate Similarity	NPC113865
0.8244	Intermediate Similarity	NPC473853
0.8244	Intermediate Similarity	NPC262156
0.8244	Intermediate Similarity	NPC470212
0.8244	Intermediate Similarity	NPC312675
0.8244	Intermediate Similarity	NPC343720
0.8235	Intermediate Similarity	NPC474481
0.8235	Intermediate Similarity	NPC91291
0.8235	Intermediate Similarity	NPC143483
0.8227	Intermediate Similarity	NPC106055
0.8227	Intermediate Similarity	NPC109240
0.8227	Intermediate Similarity	NPC55793
0.8227	Intermediate Similarity	NPC110699
0.8222	Intermediate Similarity	NPC154866

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC73656 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	351
0.1-0.2	1054
0.2-0.3	1286
0.3-0.4	2788
0.4-0.5	1817
0.5-0.6	1021
0.6-0.7	705
0.7-0.8	137
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8222	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8148	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7986	Intermediate Similarity	NPD4060	Phase 1
0.7986	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7986	Intermediate Similarity	NPD3620	Phase 2
0.7986	Intermediate Similarity	NPD1613	Approved
0.7986	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7969	Intermediate Similarity	NPD5283	Phase 1
0.7953	Intermediate Similarity	NPD228	Approved
0.7899	Intermediate Similarity	NPD4625	Phase 3
0.7826	Intermediate Similarity	NPD4908	Phase 1
0.7795	Intermediate Similarity	NPD3022	Approved
0.7795	Intermediate Similarity	NPD3021	Approved
0.7793	Intermediate Similarity	NPD6674	Discontinued
0.777	Intermediate Similarity	NPD3027	Phase 3
0.7721	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7721	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7714	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD7095	Approved
0.7638	Intermediate Similarity	NPD2342	Discontinued
0.7626	Intermediate Similarity	NPD2861	Phase 2
0.7603	Intermediate Similarity	NPD7037	Approved
0.7589	Intermediate Similarity	NPD6812	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD6671	Approved
0.7556	Intermediate Similarity	NPD6516	Phase 2
0.7556	Intermediate Similarity	NPD5846	Approved
0.7554	Intermediate Similarity	NPD6584	Phase 3
0.7551	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD1558	Phase 1
0.7465	Intermediate Similarity	NPD6798	Discontinued
0.7464	Intermediate Similarity	NPD4749	Approved
0.7445	Intermediate Similarity	NPD1610	Phase 2
0.7445	Intermediate Similarity	NPD1611	Approved
0.7444	Intermediate Similarity	NPD7157	Approved
0.7442	Intermediate Similarity	NPD2684	Approved
0.7431	Intermediate Similarity	NPD5735	Approved
0.7426	Intermediate Similarity	NPD4626	Approved
0.7417	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD5844	Phase 1
0.7361	Intermediate Similarity	NPD5837	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD7843	Approved
0.7348	Intermediate Similarity	NPD5535	Approved
0.7342	Intermediate Similarity	NPD7833	Phase 2
0.7342	Intermediate Similarity	NPD7831	Phase 2
0.7342	Intermediate Similarity	NPD7832	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD6582	Phase 2
0.7338	Intermediate Similarity	NPD5327	Phase 3
0.7338	Intermediate Similarity	NPD6583	Phase 3
0.7305	Intermediate Similarity	NPD8053	Approved
0.7305	Intermediate Similarity	NPD8054	Approved
0.7297	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD1398	Phase 1
0.7286	Intermediate Similarity	NPD6696	Suspended
0.7279	Intermediate Similarity	NPD1548	Phase 1
0.7278	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD7003	Approved
0.7267	Intermediate Similarity	NPD6232	Discontinued
0.7261	Intermediate Similarity	NPD1465	Phase 2
0.726	Intermediate Similarity	NPD4097	Suspended
0.7259	Intermediate Similarity	NPD7340	Approved
0.7255	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD4140	Approved
0.7235	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD1651	Approved
0.7226	Intermediate Similarity	NPD5691	Approved
0.7226	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD5109	Approved
0.7222	Intermediate Similarity	NPD5110	Phase 2
0.7222	Intermediate Similarity	NPD5111	Phase 2
0.7218	Intermediate Similarity	NPD7635	Approved
0.7206	Intermediate Similarity	NPD5536	Phase 2
0.7205	Intermediate Similarity	NPD7199	Phase 2
0.7197	Intermediate Similarity	NPD1934	Approved
0.7194	Intermediate Similarity	NPD3705	Approved
0.7192	Intermediate Similarity	NPD3657	Discovery
0.7192	Intermediate Similarity	NPD6355	Discontinued
0.719	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD6234	Discontinued
0.7185	Intermediate Similarity	NPD709	Approved
0.7183	Intermediate Similarity	NPD4624	Approved
0.7181	Intermediate Similarity	NPD5763	Approved
0.7181	Intermediate Similarity	NPD5762	Approved
0.7178	Intermediate Similarity	NPD6166	Phase 2
0.7178	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD2489	Approved
0.7178	Intermediate Similarity	NPD27	Approved
0.7174	Intermediate Similarity	NPD2286	Discontinued
0.717	Intermediate Similarity	NPD4581	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD1283	Approved
0.7163	Intermediate Similarity	NPD8651	Approved
0.7154	Intermediate Similarity	NPD968	Approved
0.7152	Intermediate Similarity	NPD8166	Discontinued
0.7152	Intermediate Similarity	NPD2801	Approved
0.7152	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD5929	Approved
0.7152	Intermediate Similarity	NPD6658	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD6331	Phase 2
0.7152	Intermediate Similarity	NPD4110	Phase 3
0.7143	Intermediate Similarity	NPD6353	Approved
0.7134	Intermediate Similarity	NPD7473	Discontinued
0.7133	Intermediate Similarity	NPD3018	Phase 2
0.7124	Intermediate Similarity	NPD1511	Approved
0.7124	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD7041	Phase 2
0.7121	Intermediate Similarity	NPD5451	Approved
0.7117	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD5241	Discontinued
0.7103	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD290	Approved
0.7099	Intermediate Similarity	NPD6959	Discontinued
0.7087	Intermediate Similarity	NPD3020	Approved
0.7083	Intermediate Similarity	NPD5752	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD3051	Approved
0.7055	Intermediate Similarity	NPD6233	Phase 2
0.7055	Intermediate Similarity	NPD2674	Phase 3
0.7047	Intermediate Similarity	NPD2156	Approved
0.7047	Intermediate Similarity	NPD2155	Approved
0.7047	Intermediate Similarity	NPD2154	Approved
0.7044	Intermediate Similarity	NPD8455	Phase 2
0.7044	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD3750	Approved
0.7032	Intermediate Similarity	NPD4319	Phase 2
0.7032	Intermediate Similarity	NPD1512	Approved
0.7012	Intermediate Similarity	NPD2970	Approved
0.7012	Intermediate Similarity	NPD2969	Approved
0.7	Intermediate Similarity	NPD6099	Approved
0.7	Intermediate Similarity	NPD5408	Approved
0.7	Intermediate Similarity	NPD5405	Approved
0.7	Intermediate Similarity	NPD5404	Approved
0.7	Intermediate Similarity	NPD6100	Approved
0.7	Intermediate Similarity	NPD5406	Approved
0.6994	Remote Similarity	NPD8127	Discontinued
0.6993	Remote Similarity	NPD5084	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD2797	Approved
0.6993	Remote Similarity	NPD2677	Approved
0.6988	Remote Similarity	NPD7228	Approved
0.6984	Remote Similarity	NPD2859	Approved
0.6984	Remote Similarity	NPD844	Approved
0.6984	Remote Similarity	NPD2860	Approved
0.6981	Remote Similarity	NPD37	Approved
0.698	Remote Similarity	NPD7097	Phase 1
0.6978	Remote Similarity	NPD3444	Approved
0.6978	Remote Similarity	NPD1357	Approved
0.6978	Remote Similarity	NPD3445	Approved
0.6978	Remote Similarity	NPD3443	Approved
0.6974	Remote Similarity	NPD4162	Approved
0.6972	Remote Similarity	NPD2983	Phase 2
0.6972	Remote Similarity	NPD2982	Phase 2
0.6972	Remote Similarity	NPD1669	Approved
0.6968	Remote Similarity	NPD4584	Approved
0.6964	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6957	Remote Similarity	NPD4966	Approved
0.6957	Remote Similarity	NPD4965	Approved
0.6957	Remote Similarity	NPD3882	Suspended
0.6957	Remote Similarity	NPD4967	Phase 2
0.6954	Remote Similarity	NPD2346	Discontinued
0.695	Remote Similarity	NPD1281	Approved
0.695	Remote Similarity	NPD3092	Approved
0.6943	Remote Similarity	NPD1653	Approved
0.6941	Remote Similarity	NPD4577	Approved
0.6941	Remote Similarity	NPD4578	Approved
0.6939	Remote Similarity	NPD7265	Discontinued
0.6939	Remote Similarity	NPD4475	Approved
0.6939	Remote Similarity	NPD8032	Phase 2
0.6939	Remote Similarity	NPD4474	Approved
0.6933	Remote Similarity	NPD4666	Phase 3
0.6929	Remote Similarity	NPD288	Approved
0.6928	Remote Similarity	NPD4628	Phase 3
0.6923	Remote Similarity	NPD6273	Approved
0.6923	Remote Similarity	NPD2922	Phase 1
0.6919	Remote Similarity	NPD4663	Approved
0.6908	Remote Similarity	NPD4664	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD6580	Approved
0.6906	Remote Similarity	NPD6581	Approved
0.6906	Remote Similarity	NPD3091	Approved
0.6905	Remote Similarity	NPD2933	Approved
0.6905	Remote Similarity	NPD2934	Approved
0.6903	Remote Similarity	NPD2421	Approved
0.6903	Remote Similarity	NPD2420	Approved
0.6901	Remote Similarity	NPD1840	Phase 2
0.6901	Remote Similarity	NPD2232	Approved
0.6901	Remote Similarity	NPD2233	Approved
0.6901	Remote Similarity	NPD2230	Approved
0.6901	Remote Similarity	NPD2981	Phase 2
0.6892	Remote Similarity	NPD2979	Phase 3
0.6887	Remote Similarity	NPD2161	Phase 2
0.6887	Remote Similarity	NPD2438	Suspended
0.6886	Remote Similarity	NPD8252	Approved
0.6886	Remote Similarity	NPD8099	Discontinued
0.6886	Remote Similarity	NPD8251	Approved
0.6879	Remote Similarity	NPD7906	Approved
0.6879	Remote Similarity	NPD3496	Discontinued

Structure

CID73656 OpenBabel06191715412D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.9190 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3915 -2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 1.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 -0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 -2.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3545 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 -0.2052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3231 -1.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2783 -3.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 -0.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1187 0.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 -2.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -0.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3915 0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -1.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 -0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0377 -2.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7352 0.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 -0.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 -3.0692 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 2 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 18 2 0 0 0 0 5 11 2 0 0 0 0 5 18 1 0 0 0 0 6 12 2 0 0 0 0 6 19 1 0 0 0 0 7 14 2 0 0 0 0 7 20 1 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 22 2 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 12 25 1 0 0 0 0 13 24 2 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 21 24 1 0 0 0 0 22 29 1 0 0 0 0 23 32 1 0 0 0 0 24 25 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	10070992
ChEMBL	CHEMBL411317
ZINC

Physicochemical Properties

Molecular Weight:	424.17
ALogP:	-1.2854
MLogP:	4.1
XLogP:	7.589
# Rotatable Bonds:	3
Polar Surface Area:	69.92
# H-Bond Aceptor:	0
# H-Bond Donor:	3
# Rings:	4
# Heavy Atoms:	32

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