NPASS Natural Product

Natural Product: NPC472840

Natural Product ID:	NPC472840
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C19H12O4
Standard InCHIKey:	SJXTWSGYQVUEST-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H12O4/c1-22-15-9-12-10-16(20)23-14-8-7-13(11-5-3-2-4-6-11)18(17(12)14)19(15)21/h2-10H,1H3
Canonical SMILES:	COC1=Cc2cc(=O)oc3c2c(C1=O)c(cc3)c1ccccc1
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
NPO32893	haemodorum spicatum	Species	Haemodoraceae	Eukaryota		Australia		PMID[26090896]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT19	Organism	Escherichia coli	Escherichia coli	IZ	=	1	mm	19931461

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 NPC472840 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	296
0.1-0.2	1345
0.2-0.3	2498
0.3-0.4	5565
0.4-0.5	7373
0.5-0.6	2759
0.6-0.7	5488
0.7-0.8	5382
0.8-0.85	179
0.85-0.9	3
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9048	High Similarity	NPC189773
0.8601	High Similarity	NPC290601
0.8601	High Similarity	NPC186647
0.8531	High Similarity	NPC104796
0.8489	Intermediate Similarity	NPC125887
0.8487	Intermediate Similarity	NPC27615
0.8477	Intermediate Similarity	NPC474660
0.8467	Intermediate Similarity	NPC472839
0.8456	Intermediate Similarity	NPC473927
0.844	Intermediate Similarity	NPC301717
0.8431	Intermediate Similarity	NPC477691
0.8425	Intermediate Similarity	NPC472523
0.8421	Intermediate Similarity	NPC230848
0.8411	Intermediate Similarity	NPC300983
0.8411	Intermediate Similarity	NPC80370
0.8392	Intermediate Similarity	NPC1249
0.838	Intermediate Similarity	NPC183103
0.8366	Intermediate Similarity	NPC10429
0.8366	Intermediate Similarity	NPC477690
0.8355	Intermediate Similarity	NPC473466
0.8345	Intermediate Similarity	NPC472516
0.8344	Intermediate Similarity	NPC472841
0.8333	Intermediate Similarity	NPC66705
0.8323	Intermediate Similarity	NPC276231
0.8322	Intermediate Similarity	NPC472524
0.8322	Intermediate Similarity	NPC189650
0.8322	Intermediate Similarity	NPC55147
0.8322	Intermediate Similarity	NPC54503
0.8322	Intermediate Similarity	NPC472836
0.8311	Intermediate Similarity	NPC201297
0.8301	Intermediate Similarity	NPC474414
0.8299	Intermediate Similarity	NPC136095
0.8288	Intermediate Similarity	NPC103001
0.8286	Intermediate Similarity	NPC428300
0.8286	Intermediate Similarity	NPC37512
0.8278	Intermediate Similarity	NPC142863
0.8273	Intermediate Similarity	NPC2771
0.8273	Intermediate Similarity	NPC165556
0.8267	Intermediate Similarity	NPC131766
0.8255	Intermediate Similarity	NPC251372
0.8252	Intermediate Similarity	NPC19157
0.8235	Intermediate Similarity	NPC295036
0.8231	Intermediate Similarity	NPC470407
0.8231	Intermediate Similarity	NPC476191
0.8227	Intermediate Similarity	NPC181675
0.8224	Intermediate Similarity	NPC475848
0.8224	Intermediate Similarity	NPC474306
0.8224	Intermediate Similarity	NPC95526
0.8219	Intermediate Similarity	NPC301341
0.8219	Intermediate Similarity	NPC471542
0.8219	Intermediate Similarity	NPC284184
0.8207	Intermediate Similarity	NPC22644
0.8207	Intermediate Similarity	NPC298900
0.8201	Intermediate Similarity	NPC107846
0.82	Intermediate Similarity	NPC71739
0.82	Intermediate Similarity	NPC471305
0.82	Intermediate Similarity	NPC295696
0.82	Intermediate Similarity	NPC260152
0.82	Intermediate Similarity	NPC308006
0.82	Intermediate Similarity	NPC290038
0.82	Intermediate Similarity	NPC86069
0.8176	Intermediate Similarity	NPC183642
0.8176	Intermediate Similarity	NPC473209
0.8176	Intermediate Similarity	NPC310370
0.8176	Intermediate Similarity	NPC472515
0.817	Intermediate Similarity	NPC474305
0.817	Intermediate Similarity	NPC146014
0.817	Intermediate Similarity	NPC10027
0.817	Intermediate Similarity	NPC65775
0.8163	Intermediate Similarity	NPC307883
0.8163	Intermediate Similarity	NPC221046
0.8163	Intermediate Similarity	NPC253616
0.8158	Intermediate Similarity	NPC52106
0.8158	Intermediate Similarity	NPC478163
0.8151	Intermediate Similarity	NPC77955
0.8146	Intermediate Similarity	NPC208584
0.8138	Intermediate Similarity	NPC311339
0.8125	Intermediate Similarity	NPC175159
0.8121	Intermediate Similarity	NPC474037
0.8117	Intermediate Similarity	NPC470107
0.8117	Intermediate Similarity	NPC140133
0.8108	Intermediate Similarity	NPC36414
0.8108	Intermediate Similarity	NPC1268
0.8108	Intermediate Similarity	NPC71903
0.8105	Intermediate Similarity	NPC256672
0.8105	Intermediate Similarity	NPC27221
0.8105	Intermediate Similarity	NPC146388
0.8105	Intermediate Similarity	NPC7025
0.8101	Intermediate Similarity	NPC477692
0.8101	Intermediate Similarity	NPC15764
0.8101	Intermediate Similarity	NPC472299
0.8095	Intermediate Similarity	NPC268081
0.8092	Intermediate Similarity	NPC471346
0.8092	Intermediate Similarity	NPC267509
0.8089	Intermediate Similarity	NPC288353
0.8089	Intermediate Similarity	NPC474983
0.8085	Intermediate Similarity	NPC177925
0.8082	Intermediate Similarity	NPC470844
0.8079	Intermediate Similarity	NPC184702
0.8077	Intermediate Similarity	NPC329844
0.8077	Intermediate Similarity	NPC473664
0.8071	Intermediate Similarity	NPC89630
0.8069	Intermediate Similarity	NPC470406
0.8067	Intermediate Similarity	NPC24075
0.8067	Intermediate Similarity	NPC229916
0.8067	Intermediate Similarity	NPC297985
0.8065	Intermediate Similarity	NPC258249
0.8065	Intermediate Similarity	NPC474388
0.8065	Intermediate Similarity	NPC472535
0.8065	Intermediate Similarity	NPC98028
0.8065	Intermediate Similarity	NPC474170
0.8065	Intermediate Similarity	NPC118332
0.8063	Intermediate Similarity	NPC469472
0.8063	Intermediate Similarity	NPC475144
0.8063	Intermediate Similarity	NPC19948
0.8056	Intermediate Similarity	NPC239134
0.8056	Intermediate Similarity	NPC279596
0.8056	Intermediate Similarity	NPC472517
0.8054	Intermediate Similarity	NPC155552
0.8054	Intermediate Similarity	NPC109007
0.8054	Intermediate Similarity	NPC254994
0.8054	Intermediate Similarity	NPC170812
0.8052	Intermediate Similarity	NPC472298
0.8052	Intermediate Similarity	NPC88445
0.8052	Intermediate Similarity	NPC70764
0.8052	Intermediate Similarity	NPC291049
0.8052	Intermediate Similarity	NPC158338
0.8052	Intermediate Similarity	NPC100985
0.8052	Intermediate Similarity	NPC288036
0.8052	Intermediate Similarity	NPC97029
0.8052	Intermediate Similarity	NPC97028
0.8052	Intermediate Similarity	NPC233267
0.8052	Intermediate Similarity	NPC65589
0.805	Intermediate Similarity	NPC243509
0.805	Intermediate Similarity	NPC139876
0.805	Intermediate Similarity	NPC65784
0.8042	Intermediate Similarity	NPC57552
0.8041	Intermediate Similarity	NPC233707
0.8039	Intermediate Similarity	NPC7943
0.8039	Intermediate Similarity	NPC123202
0.8039	Intermediate Similarity	NPC259632
0.8039	Intermediate Similarity	NPC22005
0.8039	Intermediate Similarity	NPC471285
0.8038	Intermediate Similarity	NPC296044
0.8038	Intermediate Similarity	NPC201127
0.8038	Intermediate Similarity	NPC123153
0.8038	Intermediate Similarity	NPC167098
0.8028	Intermediate Similarity	NPC298884
0.8027	Intermediate Similarity	NPC232996
0.8027	Intermediate Similarity	NPC141934
0.8027	Intermediate Similarity	NPC471670
0.8026	Intermediate Similarity	NPC179970
0.8026	Intermediate Similarity	NPC134621
0.8026	Intermediate Similarity	NPC49282
0.8026	Intermediate Similarity	NPC32470
0.8025	Intermediate Similarity	NPC276059
0.8025	Intermediate Similarity	NPC478161
0.8025	Intermediate Similarity	NPC3273
0.8025	Intermediate Similarity	NPC241774
0.8025	Intermediate Similarity	NPC3898
0.8025	Intermediate Similarity	NPC122623
0.8025	Intermediate Similarity	NPC80489
0.8025	Intermediate Similarity	NPC478159
0.8025	Intermediate Similarity	NPC34725
0.8014	Intermediate Similarity	NPC292998
0.8014	Intermediate Similarity	NPC232387
0.8013	Intermediate Similarity	NPC277369
0.8013	Intermediate Similarity	NPC44606
0.8013	Intermediate Similarity	NPC175978
0.8013	Intermediate Similarity	NPC60211
0.8013	Intermediate Similarity	NPC215451
0.8013	Intermediate Similarity	NPC313036
0.8013	Intermediate Similarity	NPC167663
0.8012	Intermediate Similarity	NPC477689
0.8	Intermediate Similarity	NPC177839
0.8	Intermediate Similarity	NPC191104
0.8	Intermediate Similarity	NPC478134
0.8	Intermediate Similarity	NPC216092
0.8	Intermediate Similarity	NPC309335
0.8	Intermediate Similarity	NPC280476
0.8	Intermediate Similarity	NPC296540
0.8	Intermediate Similarity	NPC119985
0.8	Intermediate Similarity	NPC13282
0.7987	Intermediate Similarity	NPC245891
0.7987	Intermediate Similarity	NPC474373
0.7987	Intermediate Similarity	NPC474107
0.7987	Intermediate Similarity	NPC104876
0.7987	Intermediate Similarity	NPC105415
0.7987	Intermediate Similarity	NPC33320
0.7987	Intermediate Similarity	NPC17848
0.7986	Intermediate Similarity	NPC327457
0.7986	Intermediate Similarity	NPC109778
0.7986	Intermediate Similarity	NPC183348
0.7986	Intermediate Similarity	NPC86774
0.7986	Intermediate Similarity	NPC282230
0.7975	Intermediate Similarity	NPC227683
0.7975	Intermediate Similarity	NPC146211
0.7975	Intermediate Similarity	NPC469521
0.7975	Intermediate Similarity	NPC257277
0.7974	Intermediate Similarity	NPC286038

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472840 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	324
0.1-0.2	983
0.2-0.3	1350
0.3-0.4	2377
0.4-0.5	2132
0.5-0.6	1230
0.6-0.7	572
0.7-0.8	185
0.8-0.85	7
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8794	High Similarity	NPD3748	Approved
0.8493	Intermediate Similarity	NPD3750	Approved
0.8289	Intermediate Similarity	NPD3226	Approved
0.8288	Intermediate Similarity	NPD2346	Discontinued
0.8194	Intermediate Similarity	NPD7819	Suspended
0.8176	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8151	Intermediate Similarity	NPD2799	Discontinued
0.8112	Intermediate Similarity	NPD2313	Discontinued
0.7987	Intermediate Similarity	NPD919	Approved
0.7986	Intermediate Similarity	NPD1281	Approved
0.7962	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7933	Intermediate Similarity	NPD1243	Approved
0.7922	Intermediate Similarity	NPD920	Approved
0.7908	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD6801	Discontinued
0.7887	Intermediate Similarity	NPD3266	Approved
0.7887	Intermediate Similarity	NPD3267	Approved
0.7881	Intermediate Similarity	NPD7003	Approved
0.7877	Intermediate Similarity	NPD4307	Phase 2
0.7857	Intermediate Similarity	NPD6273	Approved
0.7852	Intermediate Similarity	NPD2796	Approved
0.7843	Intermediate Similarity	NPD6799	Approved
0.7842	Intermediate Similarity	NPD17	Approved
0.7821	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7818	Intermediate Similarity	NPD5844	Phase 1
0.7817	Intermediate Similarity	NPD1283	Approved
0.7812	Intermediate Similarity	NPD3749	Approved
0.7812	Intermediate Similarity	NPD7075	Discontinued
0.78	Intermediate Similarity	NPD1471	Phase 3
0.78	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7799	Intermediate Similarity	NPD3817	Phase 2
0.7799	Intermediate Similarity	NPD5402	Approved
0.7792	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7792	Intermediate Similarity	NPD5401	Approved
0.7778	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD6599	Discontinued
0.777	Intermediate Similarity	NPD1651	Approved
0.7755	Intermediate Similarity	NPD4060	Phase 1
0.7755	Intermediate Similarity	NPD2979	Phase 3
0.775	Intermediate Similarity	NPD7768	Phase 2
0.774	Intermediate Similarity	NPD3764	Approved
0.7733	Intermediate Similarity	NPD2935	Discontinued
0.773	Intermediate Similarity	NPD1611	Approved
0.7724	Intermediate Similarity	NPD6832	Phase 2
0.7722	Intermediate Similarity	NPD7411	Suspended
0.7703	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD1876	Approved
0.7692	Intermediate Similarity	NPD5403	Approved
0.7688	Intermediate Similarity	NPD4288	Approved
0.7687	Intermediate Similarity	NPD8032	Phase 2
0.7676	Intermediate Similarity	NPD1608	Approved
0.7667	Intermediate Similarity	NPD4308	Phase 3
0.7647	Intermediate Similarity	NPD4628	Phase 3
0.7643	Intermediate Similarity	NPD5691	Approved
0.7639	Intermediate Similarity	NPD2797	Approved
0.7632	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD1465	Phase 2
0.7619	Intermediate Similarity	NPD6798	Discontinued
0.7619	Intermediate Similarity	NPD3268	Approved
0.7607	Intermediate Similarity	NPD5494	Approved
0.7606	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7591	Intermediate Similarity	NPD1241	Discontinued
0.7586	Intermediate Similarity	NPD2798	Approved
0.7584	Intermediate Similarity	NPD6355	Discontinued
0.7566	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD2353	Approved
0.7564	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD1247	Approved
0.7545	Intermediate Similarity	NPD7177	Discontinued
0.753	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD5049	Phase 3
0.7516	Intermediate Similarity	NPD2897	Discontinued
0.7515	Intermediate Similarity	NPD6232	Discontinued
0.75	Intermediate Similarity	NPD4477	Approved
0.75	Intermediate Similarity	NPD4476	Approved
0.75	Intermediate Similarity	NPD2531	Phase 2
0.75	Intermediate Similarity	NPD2438	Suspended
0.7485	Intermediate Similarity	NPD7473	Discontinued
0.7484	Intermediate Similarity	NPD3887	Approved
0.7471	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7465	Intermediate Similarity	NPD4626	Approved
0.7455	Intermediate Similarity	NPD6959	Discontinued
0.7451	Intermediate Similarity	NPD2344	Approved
0.7448	Intermediate Similarity	NPD3225	Approved
0.7434	Intermediate Similarity	NPD1510	Phase 2
0.7432	Intermediate Similarity	NPD7095	Approved
0.7431	Intermediate Similarity	NPD3972	Approved
0.7423	Intermediate Similarity	NPD3882	Suspended
0.7423	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7407	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD1512	Approved
0.7403	Intermediate Similarity	NPD1549	Phase 2
0.7397	Intermediate Similarity	NPD1203	Approved
0.7391	Intermediate Similarity	NPD5535	Approved
0.7386	Intermediate Similarity	NPD5406	Approved
0.7386	Intermediate Similarity	NPD5405	Approved
0.7386	Intermediate Similarity	NPD5404	Approved
0.7386	Intermediate Similarity	NPD5408	Approved
0.7383	Intermediate Similarity	NPD1296	Phase 2
0.7383	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD7458	Discontinued
0.7372	Intermediate Similarity	NPD2354	Approved
0.7365	Intermediate Similarity	NPD3926	Phase 2
0.7362	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD1933	Approved
0.7342	Intermediate Similarity	NPD2534	Approved
0.7342	Intermediate Similarity	NPD2532	Approved
0.7342	Intermediate Similarity	NPD2533	Approved
0.7342	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7337	Intermediate Similarity	NPD3751	Discontinued
0.7329	Intermediate Similarity	NPD4380	Phase 2
0.731	Intermediate Similarity	NPD9717	Approved
0.7305	Intermediate Similarity	NPD7229	Phase 3
0.7301	Intermediate Similarity	NPD2801	Approved
0.7294	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD1240	Approved
0.7283	Intermediate Similarity	NPD8312	Approved
0.7283	Intermediate Similarity	NPD8313	Approved
0.7279	Intermediate Similarity	NPD1470	Approved
0.7278	Intermediate Similarity	NPD1511	Approved
0.7273	Intermediate Similarity	NPD1551	Phase 2
0.7261	Intermediate Similarity	NPD2309	Approved
0.7239	Intermediate Similarity	NPD1934	Approved
0.7237	Intermediate Similarity	NPD447	Suspended
0.723	Intermediate Similarity	NPD1019	Discontinued
0.7226	Intermediate Similarity	NPD5763	Approved
0.7226	Intermediate Similarity	NPD5762	Approved
0.7225	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6233	Phase 2
0.7209	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD8455	Phase 2
0.719	Intermediate Similarity	NPD1607	Approved
0.7178	Intermediate Similarity	NPD5890	Approved
0.7178	Intermediate Similarity	NPD5889	Approved
0.717	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7168	Intermediate Similarity	NPD6559	Discontinued
0.716	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD5585	Approved
0.7152	Intermediate Similarity	NPD411	Approved
0.7152	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7427	Discontinued
0.7143	Intermediate Similarity	NPD8127	Discontinued
0.7134	Intermediate Similarity	NPD2800	Approved
0.7132	Intermediate Similarity	NPD9697	Approved
0.7124	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD4618	Approved
0.7124	Intermediate Similarity	NPD4340	Discontinued
0.7124	Intermediate Similarity	NPD5124	Phase 1
0.7124	Intermediate Similarity	NPD4622	Approved
0.7123	Intermediate Similarity	NPD1201	Approved
0.7123	Intermediate Similarity	NPD422	Phase 1
0.7118	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD6166	Phase 2
0.7118	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD6585	Discontinued
0.711	Intermediate Similarity	NPD6797	Phase 2
0.7105	Intermediate Similarity	NPD4062	Phase 3
0.7101	Intermediate Similarity	NPD3787	Discontinued
0.7097	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD7033	Discontinued
0.7086	Intermediate Similarity	NPD4625	Phase 3
0.7083	Intermediate Similarity	NPD1894	Discontinued
0.7083	Intermediate Similarity	NPD9545	Approved
0.7073	Intermediate Similarity	NPD6386	Approved
0.7073	Intermediate Similarity	NPD6385	Approved
0.7071	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD7251	Discontinued
0.7062	Intermediate Similarity	NPD8434	Phase 2
0.7059	Intermediate Similarity	NPD4140	Approved
0.7044	Intermediate Similarity	NPD3295	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7035	Intermediate Similarity	NPD3818	Discontinued
0.7032	Intermediate Similarity	NPD5689	Approved
0.7032	Intermediate Similarity	NPD5688	Approved
0.703	Intermediate Similarity	NPD6844	Discontinued
0.7029	Intermediate Similarity	NPD7808	Phase 3
0.702	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD5536	Phase 2
0.7011	Intermediate Similarity	NPD5953	Discontinued
0.7011	Intermediate Similarity	NPD4107	Approved
0.7006	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD6808	Phase 2
0.6986	Remote Similarity	NPD1778	Approved
0.6986	Remote Similarity	NPD3412	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD8166	Discontinued
0.6973	Remote Similarity	NPD4482	Phase 3
0.697	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.697	Remote Similarity	NPD6873	Phase 2
0.6966	Remote Similarity	NPD8150	Discontinued

Structure

NPC472840 OpenBabel07101718332D 23 26 0 0 0 0 0 0 0 0999 V2000 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 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 -1.7321 -0.0000 0.0000 C 0 0 0 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 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 -1.5243 0.0000 C 0 0 0 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 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 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2395 -2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1055 -2.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 -2.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 5 11 2 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3589053
ZINC

Physicochemical Properties

Molecular Weight:	304.07
ALogP:	-0.2202
MLogP:	3.11
XLogP:	5.056
# Rotatable Bonds:	3
Polar Surface Area:	52.6
# H-Bond Aceptor:	3
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	23

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