NPASS Natural Product

Natural Product: NPC327225

Natural Product ID:	NPC327225
Common Name:	Pterolinus D
IUPAC Name:	6-[1-hydroxy-1-(3-hydroxy-4-methoxyphenyl)propan-2-yl]-3-methoxy-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Synonyms:	Pterolinus D
Molecular Formula:	C17H18O7
Standard InCHIKey:	XGVFUXKEPNXXRI-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H18O7/c1-8(14(20)9-4-5-11(22-2)10(18)6-9)17-13(19)7-12(23-3)15(21)16(17)24-17/h4-8,14,16,18,20H,1-3H3
Canonical SMILES:	COC1=CC(=O)C2(C(C1=O)O2)C(C(c1ccc(c(c1)O)OC)O)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
NPO1087	Pterocarpus santalinus	Species	Fabaceae	Eukaryota	Heartwood	India		PMID[21488654]
NPO1087	Pterocarpus santalinus	Species	Fabaceae	Eukaryota	heartwood			PMID[21488654]

Biological Activity

Activity Type	# Activity
IC50	7
Others	1

Activity Type	# Activity
Cell Line	3
Others	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	4.89	ug/ml	21488654
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	3.31	ug/ml	21488654
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	4.33	ug/ml	21488654
NPT2	Others	Unspecified		IC50	=	2.08	ug/ml	21488654
NPT2	Others	Unspecified		IC50	=	0.29	ug/ml	21488654
NPT2	Others	Unspecified		IC50	=	1.06	ug/ml	21488654
NPT2	Others	Unspecified		Ratio IC50	=	1.9		21488654

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 NPC327225 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	283
0.1-0.2	1023
0.2-0.3	2167
0.3-0.4	4807
0.4-0.5	7294
0.5-0.6	3930
0.6-0.7	4368
0.7-0.8	6211
0.8-0.85	759
0.85-0.9	46
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9103	High Similarity	NPC322021
0.8874	High Similarity	NPC98009
0.8867	High Similarity	NPC98356
0.8808	High Similarity	NPC221383
0.8808	High Similarity	NPC143892
0.8808	High Similarity	NPC299090
0.8808	High Similarity	NPC283081
0.8774	High Similarity	NPC25127
0.8766	High Similarity	NPC95498
0.8766	High Similarity	NPC246566
0.8742	High Similarity	NPC48860
0.8733	High Similarity	NPC239608
0.8733	High Similarity	NPC46161
0.8726	High Similarity	NPC476340
0.8716	High Similarity	NPC474784
0.8693	High Similarity	NPC474903
0.869	High Similarity	NPC327410
0.8684	High Similarity	NPC30720
0.8679	High Similarity	NPC201560
0.8675	High Similarity	NPC53884
0.8675	High Similarity	NPC258671
0.8671	High Similarity	NPC477410
0.8654	High Similarity	NPC287504
0.8649	High Similarity	NPC325625
0.8645	High Similarity	NPC151425
0.8627	High Similarity	NPC192568
0.8627	High Similarity	NPC471076
0.8621	High Similarity	NPC239302
0.8618	High Similarity	NPC30890
0.8616	High Similarity	NPC472961
0.8616	High Similarity	NPC472962
0.8609	High Similarity	NPC304956
0.86	High Similarity	NPC476840
0.86	High Similarity	NPC476842
0.8562	High Similarity	NPC476359
0.8562	High Similarity	NPC476338
0.8552	High Similarity	NPC469480
0.8544	High Similarity	NPC473275
0.8544	High Similarity	NPC470896
0.8535	High Similarity	NPC477299
0.8533	High Similarity	NPC136649
0.8526	High Similarity	NPC163883
0.8526	High Similarity	NPC28724
0.8526	High Similarity	NPC476335
0.8526	High Similarity	NPC93498
0.8519	High Similarity	NPC472049
0.8509	High Similarity	NPC191360
0.8483	Intermediate Similarity	NPC172673
0.8483	Intermediate Similarity	NPC195292
0.8483	Intermediate Similarity	NPC142985
0.8477	Intermediate Similarity	NPC477278
0.8477	Intermediate Similarity	NPC477277
0.8471	Intermediate Similarity	NPC146277
0.8471	Intermediate Similarity	NPC19380
0.8467	Intermediate Similarity	NPC474875
0.8467	Intermediate Similarity	NPC274891
0.8467	Intermediate Similarity	NPC147379
0.8467	Intermediate Similarity	NPC476819
0.8467	Intermediate Similarity	NPC303683
0.8467	Intermediate Similarity	NPC205751
0.8467	Intermediate Similarity	NPC26241
0.8467	Intermediate Similarity	NPC295492
0.8467	Intermediate Similarity	NPC476820
0.8462	Intermediate Similarity	NPC178048
0.8462	Intermediate Similarity	NPC62354
0.8457	Intermediate Similarity	NPC476822
0.8447	Intermediate Similarity	NPC316457
0.8447	Intermediate Similarity	NPC308992
0.8446	Intermediate Similarity	NPC470990
0.8446	Intermediate Similarity	NPC139519
0.8442	Intermediate Similarity	NPC229264
0.8438	Intermediate Similarity	NPC55738
0.8431	Intermediate Similarity	NPC476841
0.8431	Intermediate Similarity	NPC476843
0.8428	Intermediate Similarity	NPC317383
0.8421	Intermediate Similarity	NPC474966
0.8415	Intermediate Similarity	NPC283041
0.8411	Intermediate Similarity	NPC477279
0.8411	Intermediate Similarity	NPC51681
0.8405	Intermediate Similarity	NPC224280
0.8405	Intermediate Similarity	NPC234052
0.84	Intermediate Similarity	NPC219428
0.84	Intermediate Similarity	NPC142703
0.84	Intermediate Similarity	NPC37250
0.84	Intermediate Similarity	NPC152942
0.84	Intermediate Similarity	NPC302857
0.84	Intermediate Similarity	NPC278068
0.8387	Intermediate Similarity	NPC1580
0.8385	Intermediate Similarity	NPC263449
0.8385	Intermediate Similarity	NPC44507
0.8385	Intermediate Similarity	NPC470183
0.8377	Intermediate Similarity	NPC9370
0.8377	Intermediate Similarity	NPC287495
0.8375	Intermediate Similarity	NPC67876
0.8375	Intermediate Similarity	NPC223335
0.8375	Intermediate Similarity	NPC471515
0.8375	Intermediate Similarity	NPC299520
0.8375	Intermediate Similarity	NPC40920
0.8375	Intermediate Similarity	NPC129684
0.8375	Intermediate Similarity	NPC471479
0.8375	Intermediate Similarity	NPC52530
0.8365	Intermediate Similarity	NPC145425
0.8355	Intermediate Similarity	NPC253481
0.8355	Intermediate Similarity	NPC253722
0.8355	Intermediate Similarity	NPC31751
0.8354	Intermediate Similarity	NPC20237
0.8354	Intermediate Similarity	NPC477517
0.8354	Intermediate Similarity	NPC44730
0.8354	Intermediate Similarity	NPC235610
0.8354	Intermediate Similarity	NPC476277
0.8344	Intermediate Similarity	NPC103509
0.8344	Intermediate Similarity	NPC223006
0.8344	Intermediate Similarity	NPC288452
0.8344	Intermediate Similarity	NPC4796
0.8344	Intermediate Similarity	NPC179505
0.8344	Intermediate Similarity	NPC173729
0.8344	Intermediate Similarity	NPC134047
0.8344	Intermediate Similarity	NPC272750
0.8344	Intermediate Similarity	NPC156709
0.8344	Intermediate Similarity	NPC289690
0.8333	Intermediate Similarity	NPC478134
0.8333	Intermediate Similarity	NPC173137
0.8323	Intermediate Similarity	NPC76211
0.8323	Intermediate Similarity	NPC469654
0.8323	Intermediate Similarity	NPC322660
0.8323	Intermediate Similarity	NPC208507
0.8323	Intermediate Similarity	NPC152904
0.8323	Intermediate Similarity	NPC472333
0.8323	Intermediate Similarity	NPC195832
0.8313	Intermediate Similarity	NPC471500
0.8313	Intermediate Similarity	NPC13858
0.8313	Intermediate Similarity	NPC326037
0.8313	Intermediate Similarity	NPC474638
0.8313	Intermediate Similarity	NPC320825
0.8313	Intermediate Similarity	NPC265511
0.8313	Intermediate Similarity	NPC469474
0.8312	Intermediate Similarity	NPC469683
0.8312	Intermediate Similarity	NPC223185
0.8303	Intermediate Similarity	NPC470456
0.8303	Intermediate Similarity	NPC158761
0.8302	Intermediate Similarity	NPC124714
0.8301	Intermediate Similarity	NPC220664
0.8301	Intermediate Similarity	NPC43158
0.8301	Intermediate Similarity	NPC319628
0.8301	Intermediate Similarity	NPC472016
0.8301	Intermediate Similarity	NPC192831
0.8301	Intermediate Similarity	NPC37331
0.8301	Intermediate Similarity	NPC277315
0.8301	Intermediate Similarity	NPC258469
0.8301	Intermediate Similarity	NPC303090
0.8301	Intermediate Similarity	NPC284948
0.8293	Intermediate Similarity	NPC108433
0.8293	Intermediate Similarity	NPC470457
0.8293	Intermediate Similarity	NPC191930
0.8293	Intermediate Similarity	NPC62261
0.8289	Intermediate Similarity	NPC100675
0.8289	Intermediate Similarity	NPC470991
0.8282	Intermediate Similarity	NPC472964
0.8282	Intermediate Similarity	NPC144557
0.828	Intermediate Similarity	NPC92722
0.828	Intermediate Similarity	NPC102003
0.828	Intermediate Similarity	NPC32197
0.8278	Intermediate Similarity	NPC284409
0.8276	Intermediate Similarity	NPC293641
0.8276	Intermediate Similarity	NPC20287
0.8276	Intermediate Similarity	NPC12022
0.8276	Intermediate Similarity	NPC20404
0.8272	Intermediate Similarity	NPC161947
0.8272	Intermediate Similarity	NPC155302
0.8272	Intermediate Similarity	NPC287328
0.8272	Intermediate Similarity	NPC282009
0.8272	Intermediate Similarity	NPC472902
0.8269	Intermediate Similarity	NPC472969
0.8269	Intermediate Similarity	NPC294972
0.8267	Intermediate Similarity	NPC64230
0.8267	Intermediate Similarity	NPC71638
0.8261	Intermediate Similarity	NPC474836
0.8261	Intermediate Similarity	NPC472911
0.8261	Intermediate Similarity	NPC48208
0.8261	Intermediate Similarity	NPC472914
0.8261	Intermediate Similarity	NPC99597
0.8261	Intermediate Similarity	NPC222814
0.8261	Intermediate Similarity	NPC469584
0.8261	Intermediate Similarity	NPC472913
0.8261	Intermediate Similarity	NPC286919
0.8261	Intermediate Similarity	NPC210084
0.8261	Intermediate Similarity	NPC475267
0.8261	Intermediate Similarity	NPC162869
0.8261	Intermediate Similarity	NPC203891
0.8261	Intermediate Similarity	NPC110070
0.8261	Intermediate Similarity	NPC472910
0.8261	Intermediate Similarity	NPC475663
0.8261	Intermediate Similarity	NPC101830
0.8261	Intermediate Similarity	NPC470402
0.8261	Intermediate Similarity	NPC181960
0.8261	Intermediate Similarity	NPC245758
0.8261	Intermediate Similarity	NPC96167
0.8261	Intermediate Similarity	NPC156057
0.8261	Intermediate Similarity	NPC474208
0.8258	Intermediate Similarity	NPC474799

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC327225 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	292
0.1-0.2	826
0.2-0.3	1688
0.3-0.4	2610
0.4-0.5	1987
0.5-0.6	1078
0.6-0.7	551
0.7-0.8	121
0.8-0.85	8
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8313	Intermediate Similarity	NPD3882	Suspended
0.8301	Intermediate Similarity	NPD6190	Approved
0.8125	Intermediate Similarity	NPD1934	Approved
0.8084	Intermediate Similarity	NPD3751	Discontinued
0.8075	Intermediate Similarity	NPD2801	Approved
0.8072	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.8072	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.8072	Intermediate Similarity	NPD6166	Phase 2
0.7963	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD3818	Discontinued
0.7849	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD3817	Phase 2
0.78	Intermediate Similarity	NPD3027	Phase 3
0.775	Intermediate Similarity	NPD1512	Approved
0.7738	Intermediate Similarity	NPD3787	Discontinued
0.7733	Intermediate Similarity	NPD6797	Phase 2
0.7725	Intermediate Similarity	NPD5494	Approved
0.7688	Intermediate Similarity	NPD7251	Discontinued
0.7688	Intermediate Similarity	NPD7685	Pre-registration
0.7674	Intermediate Similarity	NPD7074	Phase 3
0.7669	Intermediate Similarity	NPD4380	Phase 2
0.7667	Intermediate Similarity	NPD9494	Approved
0.7651	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7644	Intermediate Similarity	NPD7808	Phase 3
0.7635	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD1511	Approved
0.7616	Intermediate Similarity	NPD7054	Approved
0.7605	Intermediate Similarity	NPD7075	Discontinued
0.7602	Intermediate Similarity	NPD7473	Discontinued
0.7597	Intermediate Similarity	NPD230	Phase 1
0.7572	Intermediate Similarity	NPD7472	Approved
0.7571	Intermediate Similarity	NPD8434	Phase 2
0.7547	Intermediate Similarity	NPD4628	Phase 3
0.753	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD6232	Discontinued
0.7529	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD6799	Approved
0.75	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD5402	Approved
0.7471	Intermediate Similarity	NPD1247	Approved
0.747	Intermediate Similarity	NPD6801	Discontinued
0.7469	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7456	Intermediate Similarity	NPD6234	Discontinued
0.7455	Intermediate Similarity	NPD6599	Discontinued
0.7414	Intermediate Similarity	NPD5844	Phase 1
0.7407	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7389	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7384	Intermediate Similarity	NPD3926	Phase 2
0.7365	Intermediate Similarity	NPD37	Approved
0.7342	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD1510	Phase 2
0.7337	Intermediate Similarity	NPD4965	Approved
0.7337	Intermediate Similarity	NPD4967	Phase 2
0.7337	Intermediate Similarity	NPD4966	Approved
0.7314	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD1549	Phase 2
0.7312	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD1240	Approved
0.7308	Intermediate Similarity	NPD943	Approved
0.7308	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD1613	Approved
0.7283	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7261	Intermediate Similarity	NPD6355	Discontinued
0.7257	Intermediate Similarity	NPD7228	Approved
0.7251	Intermediate Similarity	NPD919	Approved
0.725	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD6233	Phase 2
0.7229	Intermediate Similarity	NPD1653	Approved
0.7222	Intermediate Similarity	NPD8166	Discontinued
0.7219	Intermediate Similarity	NPD1465	Phase 2
0.7215	Intermediate Similarity	NPD1607	Approved
0.7188	Intermediate Similarity	NPD2935	Discontinued
0.7188	Intermediate Similarity	NPD2796	Approved
0.7182	Intermediate Similarity	NPD8150	Discontinued
0.7176	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD5403	Approved
0.7168	Intermediate Similarity	NPD7199	Phase 2
0.7162	Intermediate Similarity	NPD5536	Phase 2
0.7152	Intermediate Similarity	NPD447	Suspended
0.7152	Intermediate Similarity	NPD2534	Approved
0.7152	Intermediate Similarity	NPD2532	Approved
0.7152	Intermediate Similarity	NPD2533	Approved
0.7143	Intermediate Similarity	NPD7266	Discontinued
0.7128	Intermediate Similarity	NPD6778	Approved
0.7128	Intermediate Similarity	NPD6779	Approved
0.7128	Intermediate Similarity	NPD6780	Approved
0.7128	Intermediate Similarity	NPD6776	Approved
0.7128	Intermediate Similarity	NPD6782	Approved
0.7128	Intermediate Similarity	NPD6781	Approved
0.7128	Intermediate Similarity	NPD6777	Approved
0.7118	Intermediate Similarity	NPD7819	Suspended
0.7117	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD4110	Phase 3
0.7117	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7435	Discontinued
0.7103	Intermediate Similarity	NPD228	Approved
0.7089	Intermediate Similarity	NPD4060	Phase 1
0.7089	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD6100	Approved
0.7081	Intermediate Similarity	NPD6099	Approved
0.7076	Intermediate Similarity	NPD5353	Approved
0.707	Intermediate Similarity	NPD6798	Discontinued
0.7069	Intermediate Similarity	NPD8127	Discontinued
0.7068	Intermediate Similarity	NPD4583	Approved
0.7068	Intermediate Similarity	NPD4582	Approved
0.7055	Intermediate Similarity	NPD2800	Approved
0.7051	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD5401	Approved
0.7048	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD2344	Approved
0.7035	Intermediate Similarity	NPD4111	Phase 1
0.7032	Intermediate Similarity	NPD5647	Approved
0.7019	Intermediate Similarity	NPD7033	Discontinued
0.7017	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7016	Intermediate Similarity	NPD4004	Approved
0.7016	Intermediate Similarity	NPD4002	Approved
0.7007	Intermediate Similarity	NPD5283	Phase 1
0.7006	Intermediate Similarity	NPD7095	Approved
0.7006	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD2493	Approved
0.7	Intermediate Similarity	NPD2494	Approved
0.7	Intermediate Similarity	NPD6385	Approved
0.7	Intermediate Similarity	NPD6386	Approved
0.7	Intermediate Similarity	NPD6559	Discontinued
0.6994	Remote Similarity	NPD2424	Discontinued
0.6993	Remote Similarity	NPD1608	Approved
0.6989	Remote Similarity	NPD5242	Approved
0.6987	Remote Similarity	NPD1530	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD3620	Phase 2
0.6981	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD6959	Discontinued
0.6962	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.695	Remote Similarity	NPD4665	Approved
0.6949	Remote Similarity	NPD2403	Approved
0.6946	Remote Similarity	NPD3146	Approved
0.6946	Remote Similarity	NPD3688	Clinical (unspecified phase)
0.6941	Remote Similarity	NPD7028	Phase 2
0.6927	Remote Similarity	NPD7698	Approved
0.6927	Remote Similarity	NPD7696	Phase 3
0.6927	Remote Similarity	NPD7697	Approved
0.6918	Remote Similarity	NPD4062	Phase 3
0.6914	Remote Similarity	NPD2799	Discontinued
0.6911	Remote Similarity	NPD3452	Approved
0.6911	Remote Similarity	NPD3450	Approved
0.6909	Remote Similarity	NPD3750	Approved
0.6901	Remote Similarity	NPD7411	Suspended
0.6894	Remote Similarity	NPD6653	Approved
0.6894	Remote Similarity	NPD6651	Approved
0.6892	Remote Similarity	NPD1241	Discontinued
0.6891	Remote Similarity	NPD7870	Phase 2
0.6891	Remote Similarity	NPD7871	Phase 2
0.6888	Remote Similarity	NPD7875	Clinical (unspecified phase)
0.6888	Remote Similarity	NPD7874	Approved
0.6887	Remote Similarity	NPD9545	Approved
0.6886	Remote Similarity	NPD4357	Discontinued
0.6883	Remote Similarity	NPD9269	Phase 2
0.6882	Remote Similarity	NPD3226	Approved
0.6881	Remote Similarity	NPD7907	Approved
0.6879	Remote Similarity	NPD2861	Phase 2
0.6872	Remote Similarity	NPD7701	Phase 2
0.6872	Remote Similarity	NPD2163	Approved
0.6867	Remote Similarity	NPD3887	Approved
0.6867	Remote Similarity	NPD2309	Approved
0.6867	Remote Similarity	NPD2354	Approved
0.6862	Remote Similarity	NPD6535	Approved
0.6862	Remote Similarity	NPD6534	Approved
0.6859	Remote Similarity	NPD4580	Approved
0.6853	Remote Similarity	NPD7801	Approved
0.6845	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD8313	Approved
0.6831	Remote Similarity	NPD8312	Approved
0.6829	Remote Similarity	NPD5763	Approved
0.6829	Remote Similarity	NPD5762	Approved
0.6821	Remote Similarity	NPD7972	Discontinued
0.6818	Remote Similarity	NPD3705	Approved
0.6813	Remote Similarity	NPD7240	Approved
0.68	Remote Similarity	NPD3749	Approved
0.6797	Remote Similarity	NPD17	Approved
0.6791	Remote Similarity	NPD2490	Approved
0.6791	Remote Similarity	NPD2488	Approved
0.6789	Remote Similarity	NPD2973	Approved
0.6789	Remote Similarity	NPD2975	Approved
0.6789	Remote Similarity	NPD2974	Approved
0.6788	Remote Similarity	NPD5958	Discontinued
0.6788	Remote Similarity	NPD4534	Discontinued
0.6774	Remote Similarity	NPD3972	Approved
0.676	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD7296	Approved
0.6754	Remote Similarity	NPD7700	Phase 2
0.6754	Remote Similarity	NPD7699	Phase 2
0.675	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.675	Remote Similarity	NPD3268	Approved
0.675	Remote Similarity	NPD3764	Approved
0.6746	Remote Similarity	NPD7422	Clinical (unspecified phase)

Structure

CID327225 OpenBabel06191716192D 24 26 0 0 1 0 0 0 0 0999 V2000 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0000 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4641 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 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 8 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 11 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	53262821
ChEMBL	CHEMBL1801601
ZINC

Physicochemical Properties

Molecular Weight:	334.11
ALogP:	-2.1506
MLogP:	2.56
XLogP:	-0.174
# Rotatable Bonds:	10
Polar Surface Area:	105.59
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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