NPASS Natural Product

Natural Product: NPC210296

Natural Product ID:	NPC210296
Common Name:	n.a.
IUPAC Name:
Synonyms:	10-Hydroxyliriodenine
Molecular Formula:	C17H9NO4
Standard InCHIKey:	BCIADXOEPDQMOD-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C17H9NO4/c19-9-1-2-10-11(6-9)14-13-8(3-4-18-15(13)16(10)20)5-12-17(14)22-7-21-12/h1-6,19H,7H2
Canonical SMILES:	Oc1ccc2c(c1)c1c3OCOc3cc3c1c(C2=O)ncc3
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO16455	Xylopia aethiopica	Species	Annonaceae	Eukaryota	PMID[8158166]
NPO33359	miliusa cf. banacea	Species	Annonaceae	Eukaryota	PMID[8158166]
NPO2884	Annona squamosa	Species	Annonaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Individual Protein	1
Organism	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	=	72	ug/ml	8158166
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	=	295	ug/ml	8158166
NPT1044	Individual Protein	DNA topoisomerase II alpha	Homo sapiens	IC50	=	12.5	ug/ml	8158166

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 NPC210296 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	398
0.1-0.2	1762
0.2-0.3	6371
0.3-0.4	6087
0.4-0.5	5703
0.5-0.6	8662
0.6-0.7	1566
0.7-0.8	295
0.8-0.85	26
0.85-0.9	3
0.9-0.95	8
0.95-1	8

Similarity Score	Similarity Level	Natural Product ID
0.9718	High Similarity	NPC108342
0.9673	High Similarity	NPC189903
0.9673	High Similarity	NPC182907
0.9636	High Similarity	NPC183537
0.9575	High Similarity	NPC278525
0.9548	High Similarity	NPC77878
0.9537	High Similarity	NPC166722
0.9533	High Similarity	NPC22481
0.9409	High Similarity	NPC124313
0.9406	High Similarity	NPC84164
0.9406	High Similarity	NPC207283
0.9302	High Similarity	NPC24019
0.9276	High Similarity	NPC15406
0.9202	High Similarity	NPC210434
0.9128	High Similarity	NPC233334
0.9045	High Similarity	NPC90875
0.8738	High Similarity	NPC236668
0.8698	High Similarity	NPC146976
0.8519	High Similarity	NPC251160
0.8458	Intermediate Similarity	NPC253675
0.8354	Intermediate Similarity	NPC478045
0.8341	Intermediate Similarity	NPC122463
0.8341	Intermediate Similarity	NPC470020
0.8341	Intermediate Similarity	NPC118121
0.8326	Intermediate Similarity	NPC204446
0.8276	Intermediate Similarity	NPC119134
0.822	Intermediate Similarity	NPC270515
0.819	Intermediate Similarity	NPC235076
0.8189	Intermediate Similarity	NPC132385
0.8174	Intermediate Similarity	NPC188420
0.8093	Intermediate Similarity	NPC477019
0.8093	Intermediate Similarity	NPC234197
0.808	Intermediate Similarity	NPC100079
0.808	Intermediate Similarity	NPC23614
0.8063	Intermediate Similarity	NPC271215
0.8063	Intermediate Similarity	NPC149471
0.8062	Intermediate Similarity	NPC322482
0.8044	Intermediate Similarity	NPC46451
0.8018	Intermediate Similarity	NPC53069
0.8018	Intermediate Similarity	NPC171409
0.8018	Intermediate Similarity	NPC202768
0.8018	Intermediate Similarity	NPC296482
0.8018	Intermediate Similarity	NPC96405
0.8009	Intermediate Similarity	NPC174049
0.8	Intermediate Similarity	NPC246381
0.7955	Intermediate Similarity	NPC135549
0.7955	Intermediate Similarity	NPC313189
0.7913	Intermediate Similarity	NPC470018
0.7884	Intermediate Similarity	NPC134637
0.7879	Intermediate Similarity	NPC74575
0.7873	Intermediate Similarity	NPC193238
0.7866	Intermediate Similarity	NPC208522
0.7857	Intermediate Similarity	NPC202605
0.7857	Intermediate Similarity	NPC112206
0.7851	Intermediate Similarity	NPC54066
0.785	Intermediate Similarity	NPC195268
0.785	Intermediate Similarity	NPC133140
0.7841	Intermediate Similarity	NPC473822
0.7812	Intermediate Similarity	NPC220337
0.7805	Intermediate Similarity	NPC129897
0.7783	Intermediate Similarity	NPC216612
0.7778	Intermediate Similarity	NPC137353
0.7773	Intermediate Similarity	NPC41501
0.7759	Intermediate Similarity	NPC107123
0.7745	Intermediate Similarity	NPC49547
0.7722	Intermediate Similarity	NPC470017
0.7709	Intermediate Similarity	NPC55470
0.7703	Intermediate Similarity	NPC16452
0.7703	Intermediate Similarity	NPC476581
0.7703	Intermediate Similarity	NPC36229
0.7689	Intermediate Similarity	NPC470022
0.7672	Intermediate Similarity	NPC94842
0.7637	Intermediate Similarity	NPC96584
0.7637	Intermediate Similarity	NPC255800
0.7636	Intermediate Similarity	NPC476578
0.7636	Intermediate Similarity	NPC4071
0.7636	Intermediate Similarity	NPC476582
0.7633	Intermediate Similarity	NPC302807
0.7627	Intermediate Similarity	NPC201508
0.7615	Intermediate Similarity	NPC146724
0.7581	Intermediate Similarity	NPC318068
0.7568	Intermediate Similarity	NPC31930
0.7545	Intermediate Similarity	NPC224928
0.7511	Intermediate Similarity	NPC232225
0.749	Intermediate Similarity	NPC72905
0.749	Intermediate Similarity	NPC89549
0.7468	Intermediate Similarity	NPC469439
0.7459	Intermediate Similarity	NPC142385
0.7456	Intermediate Similarity	NPC290689
0.7449	Intermediate Similarity	NPC217554
0.7448	Intermediate Similarity	NPC471004
0.744	Intermediate Similarity	NPC13603
0.7432	Intermediate Similarity	NPC23080
0.7432	Intermediate Similarity	NPC193906
0.7429	Intermediate Similarity	NPC284141
0.7414	Intermediate Similarity	NPC246658
0.7403	Intermediate Similarity	NPC298449
0.7401	Intermediate Similarity	NPC308943
0.7401	Intermediate Similarity	NPC474595
0.74	Intermediate Similarity	NPC326930
0.74	Intermediate Similarity	NPC85879
0.74	Intermediate Similarity	NPC53255
0.74	Intermediate Similarity	NPC475301
0.7399	Intermediate Similarity	NPC5374
0.7384	Intermediate Similarity	NPC473506
0.738	Intermediate Similarity	NPC124086
0.7368	Intermediate Similarity	NPC207873
0.7368	Intermediate Similarity	NPC100573
0.7366	Intermediate Similarity	NPC11408
0.7363	Intermediate Similarity	NPC9482
0.7362	Intermediate Similarity	NPC328928
0.7359	Intermediate Similarity	NPC266931
0.7353	Intermediate Similarity	NPC328186
0.7353	Intermediate Similarity	NPC476110
0.7353	Intermediate Similarity	NPC122968
0.7353	Intermediate Similarity	NPC475600
0.7353	Intermediate Similarity	NPC87152
0.7353	Intermediate Similarity	NPC475631
0.7353	Intermediate Similarity	NPC228377
0.7353	Intermediate Similarity	NPC477787
0.7352	Intermediate Similarity	NPC191489
0.7352	Intermediate Similarity	NPC473833
0.735	Intermediate Similarity	NPC74360
0.735	Intermediate Similarity	NPC148409
0.7349	Intermediate Similarity	NPC206201
0.7336	Intermediate Similarity	NPC253482
0.7333	Intermediate Similarity	NPC473689
0.7333	Intermediate Similarity	NPC475303
0.7333	Intermediate Similarity	NPC292416
0.7333	Intermediate Similarity	NPC475596
0.7333	Intermediate Similarity	NPC316841
0.7328	Intermediate Similarity	NPC237740
0.7322	Intermediate Similarity	NPC471977
0.7322	Intermediate Similarity	NPC471190
0.7322	Intermediate Similarity	NPC470486
0.7322	Intermediate Similarity	NPC475644
0.7321	Intermediate Similarity	NPC280714
0.7317	Intermediate Similarity	NPC475648
0.7314	Intermediate Similarity	NPC475406
0.7303	Intermediate Similarity	NPC319880
0.7303	Intermediate Similarity	NPC30456
0.7303	Intermediate Similarity	NPC244839
0.7303	Intermediate Similarity	NPC320324
0.7293	Intermediate Similarity	NPC90185
0.7288	Intermediate Similarity	NPC121069
0.7285	Intermediate Similarity	NPC280964
0.7285	Intermediate Similarity	NPC141915
0.7285	Intermediate Similarity	NPC114335
0.7284	Intermediate Similarity	NPC327904
0.7284	Intermediate Similarity	NPC38959
0.7284	Intermediate Similarity	NPC474594
0.7277	Intermediate Similarity	NPC17677
0.7273	Intermediate Similarity	NPC172222
0.7273	Intermediate Similarity	NPC237702
0.7273	Intermediate Similarity	NPC312531
0.7273	Intermediate Similarity	NPC474904
0.7269	Intermediate Similarity	NPC91868
0.7269	Intermediate Similarity	NPC63971
0.7269	Intermediate Similarity	NPC116701
0.7265	Intermediate Similarity	NPC27041
0.7262	Intermediate Similarity	NPC303374
0.7261	Intermediate Similarity	NPC171882
0.7261	Intermediate Similarity	NPC46990
0.7261	Intermediate Similarity	NPC121510
0.7257	Intermediate Similarity	NPC477788
0.7255	Intermediate Similarity	NPC282346
0.7253	Intermediate Similarity	NPC190401
0.7253	Intermediate Similarity	NPC239763
0.725	Intermediate Similarity	NPC476997
0.7249	Intermediate Similarity	NPC222561
0.7243	Intermediate Similarity	NPC208898
0.7243	Intermediate Similarity	NPC327769
0.7238	Intermediate Similarity	NPC200888
0.7237	Intermediate Similarity	NPC88923
0.7237	Intermediate Similarity	NPC100734
0.7237	Intermediate Similarity	NPC164374
0.7237	Intermediate Similarity	NPC210256
0.7237	Intermediate Similarity	NPC137929
0.7237	Intermediate Similarity	NPC315634
0.7236	Intermediate Similarity	NPC99891
0.7236	Intermediate Similarity	NPC148889
0.7236	Intermediate Similarity	NPC475844
0.7234	Intermediate Similarity	NPC173080
0.7231	Intermediate Similarity	NPC207686
0.7229	Intermediate Similarity	NPC324619
0.7229	Intermediate Similarity	NPC475315
0.7227	Intermediate Similarity	NPC250807
0.7227	Intermediate Similarity	NPC76565
0.7227	Intermediate Similarity	NPC122436
0.7227	Intermediate Similarity	NPC57797
0.722	Intermediate Similarity	NPC476996
0.722	Intermediate Similarity	NPC476998
0.7217	Intermediate Similarity	NPC46679
0.7215	Intermediate Similarity	NPC204385
0.7213	Intermediate Similarity	NPC295228
0.7208	Intermediate Similarity	NPC146824
0.7203	Intermediate Similarity	NPC84815
0.7203	Intermediate Similarity	NPC301368
0.72	Intermediate Similarity	NPC71124
0.7197	Intermediate Similarity	NPC475137

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC210296 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	272
0.1-0.2	694
0.2-0.3	983
0.3-0.4	1506
0.4-0.5	2609
0.5-0.6	2208
0.6-0.7	825
0.7-0.8	61
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8044	Intermediate Similarity	NPD3763	Approved
0.8018	Intermediate Similarity	NPD3816	Phase 1
0.8018	Intermediate Similarity	NPD3815	Phase 1
0.785	Intermediate Similarity	NPD3924	Approved
0.785	Intermediate Similarity	NPD3921	Approved
0.785	Intermediate Similarity	NPD3922	Approved
0.785	Intermediate Similarity	NPD3923	Approved
0.7787	Intermediate Similarity	NPD4926	Clinical (unspecified phase)
0.7764	Intermediate Similarity	NPD8091	Phase 3
0.7665	Intermediate Similarity	NPD7571	Clinical (unspecified phase)
0.766	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD1483	Discontinued
0.7621	Intermediate Similarity	NPD7069	Discontinued
0.7615	Intermediate Similarity	NPD5805	Approved
0.7592	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD6494	Phase 2
0.7532	Intermediate Similarity	NPD7395	Discontinued
0.7479	Intermediate Similarity	NPD7886	Phase 2
0.7479	Intermediate Similarity	NPD7885	Phase 2
0.746	Intermediate Similarity	NPD7862	Clinical (unspecified phase)
0.7449	Intermediate Similarity	NPD6790	Phase 1
0.7417	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7414	Intermediate Similarity	NPD4989	Phase 2
0.7391	Intermediate Similarity	NPD5866	Approved
0.7377	Intermediate Similarity	NPD7417	Discontinued
0.7375	Intermediate Similarity	NPD4885	Approved
0.7352	Intermediate Similarity	NPD7708	Approved
0.7339	Intermediate Similarity	NPD8350	Clinical (unspecified phase)
0.7336	Intermediate Similarity	NPD3920	Phase 2
0.7328	Intermediate Similarity	NPD5488	Discontinued
0.7283	Intermediate Similarity	NPD6530	Approved
0.7283	Intermediate Similarity	NPD6531	Approved
0.7276	Intermediate Similarity	NPD6716	Phase 1
0.7273	Intermediate Similarity	NPD7169	Suspended
0.7269	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD6242	Discontinued
0.7237	Intermediate Similarity	NPD7803	Approved
0.7234	Intermediate Similarity	NPD6568	Discontinued
0.7225	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.7198	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD3326	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD5429	Discontinued
0.7171	Intermediate Similarity	NPD5482	Discontinued
0.7167	Intermediate Similarity	NPD3263	Phase 3
0.7154	Intermediate Similarity	NPD6727	Phase 2
0.7104	Intermediate Similarity	NPD6257	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD6964	Approved
0.7102	Intermediate Similarity	NPD6963	Approved
0.7089	Intermediate Similarity	NPD3354	Phase 2
0.708	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD6503	Clinical (unspecified phase)
0.7068	Intermediate Similarity	NPD6517	Phase 3
0.7061	Intermediate Similarity	NPD6741	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD6247	Clinical (unspecified phase)
0.7049	Intermediate Similarity	NPD1505	Phase 2
0.7043	Intermediate Similarity	NPD7956	Approved
0.7043	Intermediate Similarity	NPD7955	Approved
0.7029	Intermediate Similarity	NPD8479	Phase 2
0.7026	Intermediate Similarity	NPD7222	Phase 2
0.7025	Intermediate Similarity	NPD7426	Phase 1
0.7017	Intermediate Similarity	NPD4429	Discontinued
0.7014	Intermediate Similarity	NPD4889	Approved
0.7008	Intermediate Similarity	NPD5022	Discontinued
0.7004	Intermediate Similarity	NPD5612	Discontinued
0.6996	Remote Similarity	NPD7268	Clinical (unspecified phase)
0.6996	Remote Similarity	NPD4845	Discontinued
0.6996	Remote Similarity	NPD3259	Approved
0.6992	Remote Similarity	NPD7558	Phase 2
0.6992	Remote Similarity	NPD3217	Phase 2
0.6992	Remote Similarity	NPD4373	Phase 2
0.6988	Remote Similarity	NPD8017	Clinical (unspecified phase)
0.6988	Remote Similarity	NPD8016	Phase 3
0.6988	Remote Similarity	NPD2921	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD5519	Discontinued
0.6984	Remote Similarity	NPD8468	Phase 2
0.6984	Remote Similarity	NPD6460	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD5530	Phase 1
0.6982	Remote Similarity	NPD4375	Approved
0.698	Remote Similarity	NPD6962	Phase 2
0.6978	Remote Similarity	NPD6569	Phase 2
0.6967	Remote Similarity	NPD7710	Clinical (unspecified phase)
0.6962	Remote Similarity	NPD7538	Clinical (unspecified phase)
0.6955	Remote Similarity	NPD5640	Discontinued
0.6947	Remote Similarity	NPD7673	Phase 3
0.6941	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.694	Remote Similarity	NPD4038	Approved
0.694	Remote Similarity	NPD4039	Approved
0.694	Remote Similarity	NPD4035	Approved
0.694	Remote Similarity	NPD6138	Clinical (unspecified phase)
0.694	Remote Similarity	NPD4122	Approved
0.694	Remote Similarity	NPD4033	Approved
0.694	Remote Similarity	NPD4036	Approved
0.694	Remote Similarity	NPD4034	Approved
0.694	Remote Similarity	NPD32	Approved
0.694	Remote Similarity	NPD31	Approved
0.694	Remote Similarity	NPD4037	Approved
0.6939	Remote Similarity	NPD8052	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD4952	Phase 3
0.6936	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD8149	Discontinued
0.6933	Remote Similarity	NPD2433	Clinical (unspecified phase)
0.6929	Remote Similarity	NPD4923	Phase 1
0.6926	Remote Similarity	NPD6975	Discontinued
0.6916	Remote Similarity	NPD5975	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD7859	Phase 2
0.6913	Remote Similarity	NPD4396	Clinical (unspecified phase)
0.6901	Remote Similarity	NPD2285	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD7555	Discontinued
0.6897	Remote Similarity	NPD5513	Phase 2
0.6888	Remote Similarity	NPD5850	Phase 3
0.6886	Remote Similarity	NPD5512	Phase 3
0.6885	Remote Similarity	NPD6228	Discontinued
0.688	Remote Similarity	NPD6825	Phase 1
0.6877	Remote Similarity	NPD8279	Clinical (unspecified phase)
0.6872	Remote Similarity	NPD4551	Phase 2
0.6872	Remote Similarity	NPD6361	Phase 2
0.687	Remote Similarity	NPD7567	Approved
0.6868	Remote Similarity	NPD5459	Phase 2
0.6867	Remote Similarity	NPD3006	Discontinued
0.6856	Remote Similarity	NPD7925	Phase 2
0.6856	Remote Similarity	NPD7924	Phase 2
0.6851	Remote Similarity	NPD5658	Approved
0.6846	Remote Similarity	NPD6974	Phase 3
0.6846	Remote Similarity	NPD3258	Approved
0.6844	Remote Similarity	NPD3925	Approved
0.6844	Remote Similarity	NPD5450	Discontinued
0.6842	Remote Similarity	NPD4418	Discontinued
0.6836	Remote Similarity	NPD7588	Discontinued
0.6835	Remote Similarity	NPD7703	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD4502	Phase 2
0.6824	Remote Similarity	NPD3328	Phase 2
0.6824	Remote Similarity	NPD6276	Discontinued
0.6822	Remote Similarity	NPD8463	Approved
0.682	Remote Similarity	NPD5417	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD5751	Clinical (unspecified phase)
0.6814	Remote Similarity	NPD6281	Approved
0.6811	Remote Similarity	NPD6230	Discontinued
0.6809	Remote Similarity	NPD7453	Approved
0.6809	Remote Similarity	NPD7452	Approved
0.6804	Remote Similarity	NPD1923	Clinical (unspecified phase)
0.6803	Remote Similarity	NPD7279	Phase 2
0.6803	Remote Similarity	NPD7278	Phase 2
0.6802	Remote Similarity	NPD3386	Phase 2
0.6795	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6795	Remote Similarity	NPD5901	Discontinued
0.6793	Remote Similarity	NPD5914	Approved
0.6789	Remote Similarity	NPD7994	Phase 2
0.6789	Remote Similarity	NPD6553	Clinical (unspecified phase)
0.678	Remote Similarity	NPD2916	Discontinued
0.678	Remote Similarity	NPD6376	Discontinued
0.678	Remote Similarity	NPD4859	Phase 1
0.6779	Remote Similarity	NPD7689	Approved
0.6777	Remote Similarity	NPD7203	Clinical (unspecified phase)
0.6776	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6774	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.677	Remote Similarity	NPD3809	Discontinued
0.677	Remote Similarity	NPD8101	Phase 3
0.6767	Remote Similarity	NPD6219	Discontinued
0.6767	Remote Similarity	NPD484	Approved
0.6766	Remote Similarity	NPD7010	Phase 3
0.6765	Remote Similarity	NPD5416	Discontinued
0.6762	Remote Similarity	NPD1856	Discontinued
0.6762	Remote Similarity	NPD6824	Clinical (unspecified phase)
0.676	Remote Similarity	NPD2951	Discontinued
0.676	Remote Similarity	NPD7807	Clinical (unspecified phase)
0.6756	Remote Similarity	NPD5867	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD6773	Clinical (unspecified phase)
0.675	Remote Similarity	NPD4667	Clinical (unspecified phase)
0.675	Remote Similarity	NPD3257	Approved
0.6749	Remote Similarity	NPD7180	Phase 3
0.6736	Remote Similarity	NPD5632	Approved
0.6735	Remote Similarity	NPD7547	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD5891	Approved
0.6733	Remote Similarity	NPD7853	Phase 2
0.6732	Remote Similarity	NPD4876	Phase 3
0.6732	Remote Similarity	NPD4558	Phase 2
0.6732	Remote Similarity	NPD4875	Phase 3
0.6725	Remote Similarity	NPD1038	Approved
0.6723	Remote Similarity	NPD6987	Phase 1
0.6721	Remote Similarity	NPD5507	Approved
0.6721	Remote Similarity	NPD6298	Discontinued
0.6721	Remote Similarity	NPD4328	Approved
0.6721	Remote Similarity	NPD5506	Approved
0.6719	Remote Similarity	NPD7025	Clinical (unspecified phase)
0.671	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD7467	Discontinued
0.6708	Remote Similarity	NPD3795	Approved
0.6708	Remote Similarity	NPD3794	Approved
0.6702	Remote Similarity	NPD8310	Clinical (unspecified phase)
0.6696	Remote Similarity	NPD7234	Approved
0.6696	Remote Similarity	NPD7233	Approved
0.6695	Remote Similarity	NPD5601	Phase 2
0.6694	Remote Similarity	NPD7654	Discontinued
0.6694	Remote Similarity	NPD6160	Clinical (unspecified phase)
0.6692	Remote Similarity	NPD5532	Phase 2
0.669	Remote Similarity	NPD7403	Phase 1
0.668	Remote Similarity	NPD5930	Phase 3
0.6679	Remote Similarity	NPD8461	Discontinued
0.6667	Remote Similarity	NPD7225	Discontinued
0.6667	Remote Similarity	NPD8405	Clinical (unspecified phase)

Structure

CID210296 OpenBabel06191716002D 22 26 0 0 0 0 0 0 0 0999 V2000 -3.4074 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9895 -4.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6037 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8025 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -2.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5866 -1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7903 -0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 -1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -2.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9923 -1.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7926 -2.7335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5906 -2.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1904 -0.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7827 -3.6539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6232 1.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -2.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 -0.7411 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 2 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 4 18 1 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 12 17 2 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 20 2 0 0 0 0 17 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11779019
ChEMBL	CHEMBL499126
ZINC

Physicochemical Properties

Molecular Weight:	291.05
ALogP:	-1.0268
MLogP:	2.78
XLogP:	1.679
# Rotatable Bonds:	1
Polar Surface Area:	68.65
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	22

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