NPASS Natural Product

Natural Product: NPC469795

Natural Product ID:	NPC469795
Common Name:	Racemosol
IUPAC Name:
Synonyms:	Racemosol
Molecular Formula:	C21H24O4
Standard InCHIKey:	PXUNBQVWLWLIHU-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C21H24O4/c1-11-16(22)9-12-5-6-14-13(7-8-17(24-4)19(14)23)15-10-21(2,3)25-20(11)18(12)15/h7-9,15,22-23H,5-6,10H2,1-4H3
Canonical SMILES:	COc1ccc2c(c1O)CCc1c3C2CC(C)(C)Oc3c(c(c1)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
NPO30254	Stemona collinsae	Species	Stemonaceae	Eukaryota	Leaves, rhizomes, and roots	Southeast Thailand near Chonburi	2000-Feb, 2001-JAN	PMID[12088422]
NPO33638	Bauhinia malabarica	Species	Fabaceae	Eukaryota	Roots			PMID[19299148]

Biological Activity

Activity Type	# Activity
EC50	6
MIC	5
Others	5

Activity Type	# Activity
Organism	16

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3660	Organism	Fusarium avenaceum	Fusarium avenaceum	EC50	=	240	ug/ml	PubChem BioAssay data set
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	EC50	=	42	ug/ml	Open TG-GATES in vivo data: Biochemistry
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	EC50	=	0.9	ug/ml	Open TG-GATES in vivo data: Hematology
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	EC50	=	183	ug/ml	PubChem BioAssay data set
NPT3821	Organism	Alternaria citri	Alternaria citri	EC50	=	25	ug/ml	15050613
NPT1780	Organism	Davidiella tassiana	Davidiella tassiana	EC90	>	200	ug/ml	PubChem BioAssay data set
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	MIC	>	200	ug/ml	17567069
NPT1780	Organism	Davidiella tassiana	Davidiella tassiana	EC50	>	200	ug/ml	25537532
NPT3821	Organism	Alternaria citri	Alternaria citri	MIC	>	200	ug/ml	15974612
NPT3821	Organism	Alternaria citri	Alternaria citri	EC90	>	200	ug/ml	23398362
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	EC90	>	200	ug/ml	8383731
NPT1780	Organism	Davidiella tassiana	Davidiella tassiana	MIC	>	200	ug/ml	23374866
NPT3660	Organism	Fusarium avenaceum	Fusarium avenaceum	MIC	>	200	ug/ml	11421731
NPT635	Organism	Botryotinia fuckeliana	Botryotinia fuckeliana	EC90	>	200	ug/ml	22954735
NPT3660	Organism	Fusarium avenaceum	Fusarium avenaceum	EC90	>	200	ug/ml	Open TG-GATES in vivo data: Biochemistry
NPT1198	Organism	Magnaporthe grisea	Magnaporthe grisea	MIC	>	200	ug/ml	23628332

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 NPC469795 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	343
0.1-0.2	1314
0.2-0.3	2702
0.3-0.4	7283
0.4-0.5	5928
0.5-0.6	2280
0.6-0.7	4679
0.7-0.8	5071
0.8-0.85	825
0.85-0.9	373
0.9-0.95	90
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9779	High Similarity	NPC71046
0.9433	High Similarity	NPC233980
0.9366	High Similarity	NPC474397
0.9353	High Similarity	NPC265075
0.9348	High Similarity	NPC260741
0.9348	High Similarity	NPC70682
0.9291	High Similarity	NPC473108
0.9286	High Similarity	NPC475891
0.9286	High Similarity	NPC204347
0.9286	High Similarity	NPC2613
0.9286	High Similarity	NPC59841
0.9281	High Similarity	NPC198038
0.9275	High Similarity	NPC242715
0.9275	High Similarity	NPC56329
0.927	High Similarity	NPC313081
0.9214	High Similarity	NPC35216
0.9209	High Similarity	NPC220344
0.9209	High Similarity	NPC243996
0.9209	High Similarity	NPC32630
0.9209	High Similarity	NPC275061
0.9209	High Similarity	NPC132804
0.9203	High Similarity	NPC270456
0.9203	High Similarity	NPC265433
0.9203	High Similarity	NPC248727
0.9203	High Similarity	NPC162659
0.9203	High Similarity	NPC30632
0.9197	High Similarity	NPC209199
0.9197	High Similarity	NPC317380
0.9178	High Similarity	NPC160196
0.9155	High Similarity	NPC50250
0.9155	High Similarity	NPC473845
0.9143	High Similarity	NPC259519
0.9143	High Similarity	NPC12668
0.9143	High Similarity	NPC234568
0.9143	High Similarity	NPC308768
0.9137	High Similarity	NPC35550
0.9137	High Similarity	NPC266453
0.9137	High Similarity	NPC22902
0.9137	High Similarity	NPC230919
0.9137	High Similarity	NPC200935
0.913	High Similarity	NPC69029
0.913	High Similarity	NPC158142
0.913	High Similarity	NPC200557
0.913	High Similarity	NPC108198
0.913	High Similarity	NPC294884
0.913	High Similarity	NPC10314
0.913	High Similarity	NPC241241
0.9124	High Similarity	NPC36661
0.911	High Similarity	NPC2745
0.9091	High Similarity	NPC469557
0.9071	High Similarity	NPC105847
0.9071	High Similarity	NPC25966
0.9071	High Similarity	NPC243759
0.9071	High Similarity	NPC218131
0.9071	High Similarity	NPC319647
0.9071	High Similarity	NPC245207
0.9071	High Similarity	NPC127218
0.9071	High Similarity	NPC184613
0.9065	High Similarity	NPC202846
0.9065	High Similarity	NPC230734
0.9065	High Similarity	NPC143139
0.9065	High Similarity	NPC234952
0.9065	High Similarity	NPC227503
0.9065	High Similarity	NPC474639
0.9058	High Similarity	NPC125649
0.9054	High Similarity	NPC80918
0.9054	High Similarity	NPC188578
0.9051	High Similarity	NPC127624
0.9051	High Similarity	NPC86655
0.9051	High Similarity	NPC14224
0.9051	High Similarity	NPC161958
0.9051	High Similarity	NPC202762
0.9048	High Similarity	NPC157783
0.9044	High Similarity	NPC126836
0.9041	High Similarity	NPC195561
0.9041	High Similarity	NPC158784
0.9034	High Similarity	NPC473876
0.9028	High Similarity	NPC211758
0.9028	High Similarity	NPC112251
0.9028	High Similarity	NPC87794
0.9021	High Similarity	NPC280092
0.9021	High Similarity	NPC45257
0.9021	High Similarity	NPC12641
0.9021	High Similarity	NPC93323
0.9014	High Similarity	NPC175838
0.9014	High Similarity	NPC183709
0.9007	High Similarity	NPC309124
0.9007	High Similarity	NPC184797
0.9	High Similarity	NPC151656
0.9	High Similarity	NPC276490
0.9	High Similarity	NPC266006
0.8993	High Similarity	NPC121812
0.8993	High Similarity	NPC94750
0.8993	High Similarity	NPC112939
0.8993	High Similarity	NPC151224
0.8993	High Similarity	NPC473413
0.8993	High Similarity	NPC474206
0.8993	High Similarity	NPC112246
0.8993	High Similarity	NPC470356
0.8986	High Similarity	NPC32778
0.898	High Similarity	NPC302915
0.8978	High Similarity	NPC469907
0.8978	High Similarity	NPC15543
0.8966	High Similarity	NPC16269
0.8966	High Similarity	NPC21776
0.8951	High Similarity	NPC102044
0.8951	High Similarity	NPC474104
0.8951	High Similarity	NPC47633
0.8951	High Similarity	NPC85264
0.8944	High Similarity	NPC87725
0.8944	High Similarity	NPC471389
0.8944	High Similarity	NPC263261
0.8936	High Similarity	NPC114171
0.8936	High Similarity	NPC236306
0.8936	High Similarity	NPC212942
0.8936	High Similarity	NPC473739
0.8936	High Similarity	NPC232164
0.8936	High Similarity	NPC230124
0.8936	High Similarity	NPC79622
0.8936	High Similarity	NPC29868
0.8936	High Similarity	NPC6300
0.8929	High Similarity	NPC302701
0.8929	High Similarity	NPC173660
0.8929	High Similarity	NPC306441
0.8929	High Similarity	NPC269091
0.8929	High Similarity	NPC470802
0.8929	High Similarity	NPC16435
0.8921	High Similarity	NPC160697
0.8921	High Similarity	NPC478085
0.8919	High Similarity	NPC325860
0.8905	High Similarity	NPC474481
0.8904	High Similarity	NPC212142
0.8897	High Similarity	NPC28765
0.8889	High Similarity	NPC44530
0.8889	High Similarity	NPC277951
0.8889	High Similarity	NPC317237
0.8889	High Similarity	NPC63879
0.8881	High Similarity	NPC107161
0.8881	High Similarity	NPC470917
0.8873	High Similarity	NPC165026
0.8873	High Similarity	NPC73505
0.8873	High Similarity	NPC295719
0.8873	High Similarity	NPC34431
0.8865	High Similarity	NPC474282
0.8865	High Similarity	NPC103976
0.8865	High Similarity	NPC94994
0.8865	High Similarity	NPC211549
0.8865	High Similarity	NPC102904
0.8865	High Similarity	NPC107551
0.8865	High Similarity	NPC176051
0.8865	High Similarity	NPC326797
0.8857	High Similarity	NPC260898
0.8857	High Similarity	NPC55239
0.8857	High Similarity	NPC255147
0.8857	High Similarity	NPC180602
0.8857	High Similarity	NPC234333
0.8857	High Similarity	NPC61946
0.8857	High Similarity	NPC195022
0.8857	High Similarity	NPC201357
0.8857	High Similarity	NPC47398
0.8857	High Similarity	NPC164787
0.8857	High Similarity	NPC240279
0.8857	High Similarity	NPC281521
0.8857	High Similarity	NPC214853
0.8849	High Similarity	NPC475840
0.8849	High Similarity	NPC469610
0.8849	High Similarity	NPC168059
0.8849	High Similarity	NPC11060
0.8849	High Similarity	NPC229442
0.8841	High Similarity	NPC160623
0.8836	High Similarity	NPC101376
0.8832	High Similarity	NPC16577
0.8828	High Similarity	NPC221318
0.8824	High Similarity	NPC246620
0.8824	High Similarity	NPC74817
0.8824	High Similarity	NPC124452
0.8824	High Similarity	NPC252131
0.8824	High Similarity	NPC282000
0.8824	High Similarity	NPC159968
0.8824	High Similarity	NPC293054
0.8824	High Similarity	NPC169474
0.8824	High Similarity	NPC236791
0.8824	High Similarity	NPC127587
0.8824	High Similarity	NPC236760
0.8824	High Similarity	NPC210355
0.8824	High Similarity	NPC324112
0.8824	High Similarity	NPC82679
0.8819	High Similarity	NPC155392
0.8819	High Similarity	NPC135767
0.8819	High Similarity	NPC274721
0.8819	High Similarity	NPC477616
0.8819	High Similarity	NPC258083
0.8811	High Similarity	NPC472089
0.8811	High Similarity	NPC247291
0.8803	High Similarity	NPC471388
0.8803	High Similarity	NPC55947
0.8794	High Similarity	NPC126101
0.8794	High Similarity	NPC205442
0.8794	High Similarity	NPC472800
0.8786	High Similarity	NPC473107

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC469795 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	335
0.1-0.2	954
0.2-0.3	1526
0.3-0.4	2784
0.4-0.5	1787
0.5-0.6	927
0.6-0.7	655
0.7-0.8	179
0.8-0.85	8
0.85-0.9	6
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8832	High Similarity	NPD4625	Phase 3
0.8759	High Similarity	NPD1529	Clinical (unspecified phase)
0.8686	High Similarity	NPD1530	Clinical (unspecified phase)
0.8643	High Similarity	NPD1612	Clinical (unspecified phase)
0.8643	High Similarity	NPD1613	Approved
0.85	High Similarity	NPD4907	Clinical (unspecified phase)
0.8429	Intermediate Similarity	NPD3027	Phase 3
0.8394	Intermediate Similarity	NPD4749	Approved
0.8357	Intermediate Similarity	NPD4908	Phase 1
0.8248	Intermediate Similarity	NPD1610	Phase 2
0.8239	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8054	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.8054	Intermediate Similarity	NPD6674	Discontinued
0.8	Intermediate Similarity	NPD4060	Phase 1
0.7962	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7898	Intermediate Similarity	NPD1934	Approved
0.7875	Intermediate Similarity	NPD6234	Discontinued
0.7852	Intermediate Similarity	NPD6099	Approved
0.7852	Intermediate Similarity	NPD6100	Approved
0.7826	Intermediate Similarity	NPD1548	Phase 1
0.7818	Intermediate Similarity	NPD5844	Phase 1
0.7778	Intermediate Similarity	NPD2861	Phase 2
0.7778	Intermediate Similarity	NPD3018	Phase 2
0.7755	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7755	Intermediate Similarity	NPD3620	Phase 2
0.7746	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD2801	Approved
0.773	Intermediate Similarity	NPD6232	Discontinued
0.7721	Intermediate Similarity	NPD5283	Phase 1
0.7708	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7697	Intermediate Similarity	NPD7473	Discontinued
0.7673	Intermediate Similarity	NPD37	Approved
0.7669	Intermediate Similarity	NPD7199	Phase 2
0.7651	Intermediate Similarity	NPD7228	Approved
0.7647	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD4967	Phase 2
0.764	Intermediate Similarity	NPD4965	Approved
0.764	Intermediate Similarity	NPD4966	Approved
0.7622	Intermediate Similarity	NPD2983	Phase 2
0.7622	Intermediate Similarity	NPD2982	Phase 2
0.7576	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD228	Approved
0.7569	Intermediate Similarity	NPD6696	Suspended
0.7552	Intermediate Similarity	NPD2981	Phase 2
0.7532	Intermediate Similarity	NPD1653	Approved
0.7531	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD3882	Suspended
0.753	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.753	Intermediate Similarity	NPD6166	Phase 2
0.753	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD5261	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD1465	Phase 2
0.75	Intermediate Similarity	NPD1511	Approved
0.7467	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7467	Intermediate Similarity	NPD5124	Phase 1
0.7448	Intermediate Similarity	NPD8651	Approved
0.7442	Intermediate Similarity	NPD8054	Approved
0.7442	Intermediate Similarity	NPD8053	Approved
0.7429	Intermediate Similarity	NPD7340	Approved
0.7426	Intermediate Similarity	NPD3022	Approved
0.7426	Intermediate Similarity	NPD3021	Approved
0.7417	Intermediate Similarity	NPD4097	Suspended
0.7407	Intermediate Similarity	NPD7819	Suspended
0.7405	Intermediate Similarity	NPD1512	Approved
0.74	Intermediate Similarity	NPD1558	Phase 1
0.7394	Intermediate Similarity	NPD5494	Approved
0.7379	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7357	Intermediate Similarity	NPD6671	Approved
0.7353	Intermediate Similarity	NPD7074	Phase 3
0.7351	Intermediate Similarity	NPD5735	Approved
0.7349	Intermediate Similarity	NPD6959	Discontinued
0.7343	Intermediate Similarity	NPD4626	Approved
0.7342	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD5762	Approved
0.7338	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD5763	Approved
0.7338	Intermediate Similarity	NPD1398	Phase 1
0.7321	Intermediate Similarity	NPD27	Approved
0.7321	Intermediate Similarity	NPD2489	Approved
0.7308	Intermediate Similarity	NPD3750	Approved
0.7308	Intermediate Similarity	NPD3892	Phase 2
0.7301	Intermediate Similarity	NPD5929	Approved
0.7299	Intermediate Similarity	NPD4750	Phase 3
0.7296	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD7054	Approved
0.7283	Intermediate Similarity	NPD7310	Approved
0.7283	Intermediate Similarity	NPD7313	Approved
0.7283	Intermediate Similarity	NPD4578	Approved
0.7283	Intermediate Similarity	NPD7312	Approved
0.7283	Intermediate Similarity	NPD7311	Approved
0.7283	Intermediate Similarity	NPD4577	Approved
0.7273	Intermediate Similarity	NPD7075	Discontinued
0.7273	Intermediate Similarity	NPD4055	Discovery
0.7267	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD4005	Discontinued
0.7262	Intermediate Similarity	NPD2970	Approved
0.7262	Intermediate Similarity	NPD2969	Approved
0.7257	Intermediate Similarity	NPD4663	Approved
0.7256	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7256	Intermediate Similarity	NPD3817	Phase 2
0.7255	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD4536	Approved
0.7255	Intermediate Similarity	NPD4538	Approved
0.7251	Intermediate Similarity	NPD7472	Approved
0.7241	Intermediate Similarity	NPD422	Phase 1
0.7241	Intermediate Similarity	NPD7309	Approved
0.7241	Intermediate Similarity	NPD3705	Approved
0.7235	Intermediate Similarity	NPD3818	Discontinued
0.7233	Intermediate Similarity	NPD7447	Phase 1
0.7226	Intermediate Similarity	NPD3540	Phase 1
0.7225	Intermediate Similarity	NPD7549	Discontinued
0.7222	Intermediate Similarity	NPD4380	Phase 2
0.7216	Intermediate Similarity	NPD7906	Approved
0.7208	Intermediate Similarity	NPD6029	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD6028	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD3051	Approved
0.72	Intermediate Similarity	NPD7095	Approved
0.72	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD6331	Phase 2
0.7195	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.717	Intermediate Similarity	NPD7212	Phase 2
0.717	Intermediate Similarity	NPD7213	Phase 3
0.7168	Intermediate Similarity	NPD6559	Discontinued
0.7168	Intermediate Similarity	NPD7240	Approved
0.7161	Intermediate Similarity	NPD3539	Phase 1
0.7153	Intermediate Similarity	NPD5691	Approved
0.7152	Intermediate Similarity	NPD5110	Phase 2
0.7152	Intermediate Similarity	NPD5307	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD5111	Phase 2
0.7152	Intermediate Similarity	NPD5109	Approved
0.7143	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD5327	Phase 3
0.7125	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD1091	Approved
0.7123	Intermediate Similarity	NPD1611	Approved
0.7117	Intermediate Similarity	NPD4678	Approved
0.7117	Intermediate Similarity	NPD4675	Approved
0.7115	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7114	Intermediate Similarity	NPD4624	Approved
0.7113	Intermediate Similarity	NPD7157	Approved
0.711	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.711	Intermediate Similarity	NPD6797	Phase 2
0.7107	Intermediate Similarity	NPD5058	Phase 3
0.7107	Intermediate Similarity	NPD7124	Phase 2
0.7101	Intermediate Similarity	NPD2684	Approved
0.7101	Intermediate Similarity	NPD7229	Phase 3
0.7097	Intermediate Similarity	NPD5960	Phase 3
0.7097	Intermediate Similarity	NPD5588	Approved
0.7095	Intermediate Similarity	NPD1283	Approved
0.7089	Intermediate Similarity	NPD7466	Approved
0.7083	Intermediate Similarity	NPD4666	Phase 3
0.7078	Intermediate Similarity	NPD6353	Approved
0.7073	Intermediate Similarity	NPD6072	Discontinued
0.7073	Intermediate Similarity	NPD5090	Approved
0.7073	Intermediate Similarity	NPD5089	Approved
0.7073	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD1549	Phase 2
0.707	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7069	Intermediate Similarity	NPD7251	Discontinued
0.7066	Intermediate Similarity	NPD7975	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD7041	Phase 2
0.7059	Intermediate Similarity	NPD4140	Approved
0.7055	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD2560	Approved
0.7048	Intermediate Similarity	NPD2563	Approved
0.7044	Intermediate Similarity	NPD2677	Approved
0.7035	Intermediate Similarity	NPD8099	Discontinued
0.7035	Intermediate Similarity	NPD8251	Approved
0.7035	Intermediate Similarity	NPD8252	Approved
0.7034	Intermediate Similarity	NPD1651	Approved
0.7029	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7029	Intermediate Similarity	NPD7808	Phase 3
0.7025	Intermediate Similarity	NPD1652	Phase 2
0.7025	Intermediate Similarity	NPD5177	Phase 3
0.7024	Intermediate Similarity	NPD5709	Phase 3
0.7021	Intermediate Similarity	NPD7843	Approved
0.7021	Intermediate Similarity	NPD7635	Approved
0.7019	Intermediate Similarity	NPD2532	Approved
0.7019	Intermediate Similarity	NPD2534	Approved
0.7019	Intermediate Similarity	NPD2533	Approved
0.7019	Intermediate Similarity	NPD1754	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD3657	Discovery
0.7013	Intermediate Similarity	NPD6355	Discontinued
0.7012	Intermediate Similarity	NPD6599	Discontinued
0.7006	Intermediate Similarity	NPD7266	Discontinued
0.7006	Intermediate Similarity	NPD7768	Phase 2
0.7	Intermediate Similarity	NPD6584	Phase 3
0.7	Intermediate Similarity	NPD6071	Discontinued
0.7	Intermediate Similarity	NPD3787	Discontinued
0.6994	Remote Similarity	NPD8156	Discontinued
0.6987	Remote Similarity	NPD3748	Approved
0.6987	Remote Similarity	NPD4108	Discontinued
0.6986	Remote Similarity	NPD5126	Approved
0.6986	Remote Similarity	NPD5125	Phase 3
0.6981	Remote Similarity	NPD4628	Phase 3
0.6981	Remote Similarity	NPD4109	Clinical (unspecified phase)

Structure

NPC469795 OpenBabel07101718202D 25 28 0 0 1 0 0 0 0 0999 V2000 1.9748 -0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 -0.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 -1.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5039 4.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 3.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7718 1.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 0.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 2.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 1.2114 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8454 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6379 2.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7718 3.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4143 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 1.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7718 4.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5039 3.3348 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 11 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 16 22 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 20 2 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	624971
ChEMBL	CHEMBL1173076
ZINC

Physicochemical Properties

Molecular Weight:	340.17
ALogP:	0.1659
MLogP:	3.33
XLogP:	3.41
# Rotatable Bonds:	7
Polar Surface Area:	58.92
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	25

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