NPASS Natural Product

Natural Product: NPC288759

Natural Product ID:	NPC288759
Common Name:	Des-N-Methylnoracronycine
IUPAC Name:	6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Synonyms:	Des-N-Methylnoracronycine
Molecular Formula:	C18H15NO3
Standard InCHIKey:	RPWNPBFZWFWZNJ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H15NO3/c1-18(2)8-7-11-14(22-18)9-13(20)15-16(11)19-12-6-4-3-5-10(12)17(15)21/h3-9,20H,1-2H3,(H,19,21)
Canonical SMILES:	Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c([nH]2)cccc1
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO6501	Glycosmis cochinchinensis	Species	Rutaceae	Eukaryota	UNPD*
NPO2715	Murraya paniculata	Species	Rutaceae	Eukaryota	TCMID*
NPO28017	Aster altaicus	Species	Asteraceae	Eukaryota	TCMID*
NPO25443	Citrus reticulata	Species	Rutaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	=	6370	nM	10217715
NPT319	Cell Line	B16	Mus musculus	IC50	=	5050	nM	10217715
NPT1353	Cell Line	CCRF-HSB-2	Homo sapiens	IC50	=	3100	nM	10217715
NPT1354	Cell Line	TGBC11TKB	Homo sapiens	IC50	=	2070	nM	10217715

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 NPC288759 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	314
0.1-0.2	1605
0.2-0.3	5684
0.3-0.4	6743
0.4-0.5	4133
0.5-0.6	7575
0.6-0.7	4427
0.7-0.8	379
0.8-0.85	9
0.85-0.9	10
0.9-0.95	6
0.95-1	4

Similarity Score	Similarity Level	Natural Product ID
0.978	High Similarity	NPC301292
0.978	High Similarity	NPC313112
0.9613	High Similarity	NPC241263
0.9563	High Similarity	NPC15987
0.9263	High Similarity	NPC218303
0.9239	High Similarity	NPC234933
0.9119	High Similarity	NPC176113
0.9071	High Similarity	NPC206109
0.9071	High Similarity	NPC114039
0.9053	High Similarity	NPC198160
0.8918	High Similarity	NPC116178
0.8918	High Similarity	NPC305542
0.8872	High Similarity	NPC217903
0.8872	High Similarity	NPC30749
0.8872	High Similarity	NPC321166
0.8718	High Similarity	NPC474366
0.8626	High Similarity	NPC298320
0.8564	High Similarity	NPC329830
0.8564	High Similarity	NPC212123
0.8511	High Similarity	NPC1820
0.8392	Intermediate Similarity	NPC295479
0.8392	Intermediate Similarity	NPC220241
0.8357	Intermediate Similarity	NPC13249
0.8146	Intermediate Similarity	NPC134702
0.8146	Intermediate Similarity	NPC182853
0.8144	Intermediate Similarity	NPC170333
0.8088	Intermediate Similarity	NPC148391
0.8085	Intermediate Similarity	NPC327005
0.8022	Intermediate Similarity	NPC204867
0.7951	Intermediate Similarity	NPC114468
0.7943	Intermediate Similarity	NPC118189
0.7943	Intermediate Similarity	NPC7560
0.7913	Intermediate Similarity	NPC2905
0.791	Intermediate Similarity	NPC133156
0.7892	Intermediate Similarity	NPC25961
0.788	Intermediate Similarity	NPC299582
0.7857	Intermediate Similarity	NPC76478
0.7778	Intermediate Similarity	NPC268223
0.7737	Intermediate Similarity	NPC9475
0.7725	Intermediate Similarity	NPC469439
0.7714	Intermediate Similarity	NPC195120
0.771	Intermediate Similarity	NPC285254
0.763	Intermediate Similarity	NPC87560
0.7559	Intermediate Similarity	NPC118154
0.7559	Intermediate Similarity	NPC157983
0.75	Intermediate Similarity	NPC471825
0.7461	Intermediate Similarity	NPC127082
0.7459	Intermediate Similarity	NPC38219
0.7427	Intermediate Similarity	NPC41216
0.7407	Intermediate Similarity	NPC251071
0.7389	Intermediate Similarity	NPC475680
0.7389	Intermediate Similarity	NPC305355
0.7377	Intermediate Similarity	NPC144691
0.7363	Intermediate Similarity	NPC219915
0.7348	Intermediate Similarity	NPC64908
0.7348	Intermediate Similarity	NPC147688
0.7348	Intermediate Similarity	NPC156590
0.7348	Intermediate Similarity	NPC118840
0.7348	Intermediate Similarity	NPC205006
0.7337	Intermediate Similarity	NPC110303
0.7337	Intermediate Similarity	NPC23728
0.7313	Intermediate Similarity	NPC475411
0.7308	Intermediate Similarity	NPC78803
0.7308	Intermediate Similarity	NPC299080
0.7308	Intermediate Similarity	NPC144499
0.7308	Intermediate Similarity	NPC293852
0.7308	Intermediate Similarity	NPC214236
0.7308	Intermediate Similarity	NPC217083
0.7308	Intermediate Similarity	NPC226636
0.7308	Intermediate Similarity	NPC59739
0.7308	Intermediate Similarity	NPC62840
0.7308	Intermediate Similarity	NPC11561
0.7297	Intermediate Similarity	NPC132592
0.7297	Intermediate Similarity	NPC160821
0.7293	Intermediate Similarity	NPC235239
0.7293	Intermediate Similarity	NPC261227
0.7293	Intermediate Similarity	NPC270883
0.7293	Intermediate Similarity	NPC69769
0.7293	Intermediate Similarity	NPC172986
0.7289	Intermediate Similarity	NPC151171
0.7283	Intermediate Similarity	NPC267375
0.7283	Intermediate Similarity	NPC54577
0.7283	Intermediate Similarity	NPC195621
0.7283	Intermediate Similarity	NPC176229
0.7283	Intermediate Similarity	NPC470647
0.7283	Intermediate Similarity	NPC312973
0.7283	Intermediate Similarity	NPC142405
0.7283	Intermediate Similarity	NPC88964
0.7283	Intermediate Similarity	NPC111786
0.7283	Intermediate Similarity	NPC83357
0.7283	Intermediate Similarity	NPC20488
0.7283	Intermediate Similarity	NPC246948
0.7283	Intermediate Similarity	NPC67805
0.7283	Intermediate Similarity	NPC301276
0.7283	Intermediate Similarity	NPC214774
0.7283	Intermediate Similarity	NPC475052
0.7278	Intermediate Similarity	NPC201395
0.7268	Intermediate Similarity	NPC106985
0.7268	Intermediate Similarity	NPC18585
0.7268	Intermediate Similarity	NPC166138
0.7253	Intermediate Similarity	NPC110969
0.7253	Intermediate Similarity	NPC103362
0.7253	Intermediate Similarity	NPC3188
0.7243	Intermediate Similarity	NPC298449
0.7243	Intermediate Similarity	NPC201731
0.7243	Intermediate Similarity	NPC283234
0.7243	Intermediate Similarity	NPC104406
0.7243	Intermediate Similarity	NPC296998
0.7243	Intermediate Similarity	NPC237635
0.7243	Intermediate Similarity	NPC79469
0.7243	Intermediate Similarity	NPC97716
0.7243	Intermediate Similarity	NPC473077
0.7243	Intermediate Similarity	NPC24673
0.7238	Intermediate Similarity	NPC96565
0.7238	Intermediate Similarity	NPC303633
0.7238	Intermediate Similarity	NPC78913
0.7238	Intermediate Similarity	NPC18260
0.7238	Intermediate Similarity	NPC220062
0.7238	Intermediate Similarity	NPC301217
0.7238	Intermediate Similarity	NPC216978
0.7238	Intermediate Similarity	NPC55018
0.7236	Intermediate Similarity	NPC49184
0.7228	Intermediate Similarity	NPC257236
0.7228	Intermediate Similarity	NPC278175
0.7228	Intermediate Similarity	NPC209040
0.7228	Intermediate Similarity	NPC311741
0.7228	Intermediate Similarity	NPC234629
0.7222	Intermediate Similarity	NPC228661
0.7219	Intermediate Similarity	NPC120105
0.7219	Intermediate Similarity	NPC101957
0.7216	Intermediate Similarity	NPC73280
0.7207	Intermediate Similarity	NPC151113
0.7204	Intermediate Similarity	NPC266572
0.7204	Intermediate Similarity	NPC6511
0.7204	Intermediate Similarity	NPC257728
0.7204	Intermediate Similarity	NPC296869
0.7204	Intermediate Similarity	NPC161191
0.7202	Intermediate Similarity	NPC198503
0.7198	Intermediate Similarity	NPC150522
0.7198	Intermediate Similarity	NPC159275
0.7198	Intermediate Similarity	NPC241100
0.7189	Intermediate Similarity	NPC477955
0.7178	Intermediate Similarity	NPC469437
0.7174	Intermediate Similarity	NPC164980
0.7174	Intermediate Similarity	NPC221432
0.7174	Intermediate Similarity	NPC214166
0.7174	Intermediate Similarity	NPC75049
0.7174	Intermediate Similarity	NPC150408
0.7174	Intermediate Similarity	NPC68104
0.7174	Intermediate Similarity	NPC169591
0.7174	Intermediate Similarity	NPC310130
0.7174	Intermediate Similarity	NPC175504
0.7174	Intermediate Similarity	NPC257097
0.7174	Intermediate Similarity	NPC143896
0.7174	Intermediate Similarity	NPC149026
0.7174	Intermediate Similarity	NPC39329
0.7174	Intermediate Similarity	NPC316816
0.7174	Intermediate Similarity	NPC91560
0.7174	Intermediate Similarity	NPC478086
0.7168	Intermediate Similarity	NPC6786
0.7158	Intermediate Similarity	NPC312391
0.7158	Intermediate Similarity	NPC4743
0.7158	Intermediate Similarity	NPC14871
0.7158	Intermediate Similarity	NPC282300
0.7158	Intermediate Similarity	NPC213322
0.7158	Intermediate Similarity	NPC324386
0.7156	Intermediate Similarity	NPC150239
0.7156	Intermediate Similarity	NPC257266
0.7156	Intermediate Similarity	NPC174760
0.7151	Intermediate Similarity	NPC14001
0.7151	Intermediate Similarity	NPC180477
0.7151	Intermediate Similarity	NPC166757
0.7151	Intermediate Similarity	NPC140120
0.7143	Intermediate Similarity	NPC217186
0.7143	Intermediate Similarity	NPC129578
0.7143	Intermediate Similarity	NPC53181
0.7143	Intermediate Similarity	NPC247803
0.7135	Intermediate Similarity	NPC473013
0.7135	Intermediate Similarity	NPC131579
0.7135	Intermediate Similarity	NPC319752
0.7135	Intermediate Similarity	NPC469953
0.7135	Intermediate Similarity	NPC131568
0.7135	Intermediate Similarity	NPC236766
0.7135	Intermediate Similarity	NPC197252
0.7135	Intermediate Similarity	NPC473015
0.7128	Intermediate Similarity	NPC188403
0.7128	Intermediate Similarity	NPC29777
0.7128	Intermediate Similarity	NPC471115
0.7128	Intermediate Similarity	NPC472633
0.7127	Intermediate Similarity	NPC250266
0.7127	Intermediate Similarity	NPC266597
0.7127	Intermediate Similarity	NPC157855
0.7124	Intermediate Similarity	NPC67401
0.7121	Intermediate Similarity	NPC283810
0.712	Intermediate Similarity	NPC200694
0.712	Intermediate Similarity	NPC78
0.712	Intermediate Similarity	NPC324134
0.712	Intermediate Similarity	NPC167624
0.712	Intermediate Similarity	NPC182852
0.712	Intermediate Similarity	NPC64915

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC288759 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	262
0.1-0.2	762
0.2-0.3	909
0.3-0.4	1712
0.4-0.5	2684
0.5-0.6	2230
0.6-0.7	567
0.7-0.8	34
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8186	Intermediate Similarity	NPD3949	Clinical (unspecified phase)
0.7847	Intermediate Similarity	NPD2899	Discontinued
0.7626	Intermediate Similarity	NPD5937	Approved
0.7598	Intermediate Similarity	NPD7064	Clinical (unspecified phase)
0.7573	Intermediate Similarity	NPD7584	Approved
0.754	Intermediate Similarity	NPD955	Approved
0.75	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7476	Intermediate Similarity	NPD3298	Approved
0.7474	Intermediate Similarity	NPD5186	Approved
0.7474	Intermediate Similarity	NPD5183	Approved
0.7402	Intermediate Similarity	NPD3297	Approved
0.733	Intermediate Similarity	NPD7566	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD6874	Approved
0.7269	Intermediate Similarity	NPD5496	Approved
0.7229	Intermediate Similarity	NPD6525	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.722	Intermediate Similarity	NPD4979	Clinical (unspecified phase)
0.7204	Intermediate Similarity	NPD7585	Approved
0.7172	Intermediate Similarity	NPD6104	Discontinued
0.7172	Intermediate Similarity	NPD5637	Discontinued
0.7163	Intermediate Similarity	NPD5417	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD7583	Approved
0.7143	Intermediate Similarity	NPD6198	Phase 1
0.7129	Intermediate Similarity	NPD6608	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD7597	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD4539	Phase 1
0.7064	Intermediate Similarity	NPD1926	Approved
0.7062	Intermediate Similarity	NPD4465	Phase 2
0.7062	Intermediate Similarity	NPD4467	Phase 2
0.7054	Intermediate Similarity	NPD4981	Phase 2
0.7046	Intermediate Similarity	NPD8461	Discontinued
0.7043	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.701	Intermediate Similarity	NPD5928	Phase 1
0.7009	Intermediate Similarity	NPD7654	Discontinued
0.6995	Remote Similarity	NPD1549	Phase 2
0.697	Remote Similarity	NPD1483	Discontinued
0.6961	Remote Similarity	NPD1898	Discontinued
0.6957	Remote Similarity	NPD4363	Phase 3
0.6957	Remote Similarity	NPD4360	Phase 2
0.6954	Remote Similarity	NPD2248	Approved
0.6954	Remote Similarity	NPD2246	Approved
0.6951	Remote Similarity	NPD3925	Approved
0.6943	Remote Similarity	NPD2300	Clinical (unspecified phase)
0.694	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.694	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6938	Remote Similarity	NPD4668	Phase 2
0.6935	Remote Similarity	NPD3793	Phase 3
0.6923	Remote Similarity	NPD3783	Clinical (unspecified phase)
0.6919	Remote Similarity	NPD3446	Phase 1
0.6911	Remote Similarity	NPD2366	Approved
0.6911	Remote Similarity	NPD7411	Suspended
0.69	Remote Similarity	NPD7479	Phase 2
0.689	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD1240	Approved
0.6887	Remote Similarity	NPD6795	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD956	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7922	Phase 1
0.6866	Remote Similarity	NPD1945	Phase 1
0.6859	Remote Similarity	NPD4380	Phase 2
0.6842	Remote Similarity	NPD4361	Phase 2
0.6842	Remote Similarity	NPD4362	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD1510	Phase 2
0.6822	Remote Similarity	NPD5102	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD1913	Phase 1
0.6814	Remote Similarity	NPD6021	Clinical (unspecified phase)
0.6813	Remote Similarity	NPD1607	Approved
0.6808	Remote Similarity	NPD7071	Clinical (unspecified phase)
0.6804	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6798	Remote Similarity	NPD8067	Phase 3
0.6793	Remote Similarity	NPD2796	Approved
0.6789	Remote Similarity	NPD5416	Discontinued
0.6766	Remote Similarity	NPD5521	Clinical (unspecified phase)
0.6766	Remote Similarity	NPD6020	Phase 2
0.6762	Remote Similarity	NPD7880	Clinical (unspecified phase)
0.6754	Remote Similarity	NPD6199	Discontinued
0.6753	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6748	Remote Similarity	NPD3863	Clinical (unspecified phase)
0.6743	Remote Similarity	NPD5860	Discontinued
0.6739	Remote Similarity	NPD6625	Approved
0.6737	Remote Similarity	NPD2737	Clinical (unspecified phase)
0.6735	Remote Similarity	NPD7075	Discontinued
0.6733	Remote Similarity	NPD5900	Clinical (unspecified phase)
0.6729	Remote Similarity	NPD7316	Discontinued
0.672	Remote Similarity	NPD75	Approved
0.672	Remote Similarity	NPD9277	Approved
0.6719	Remote Similarity	NPD3229	Phase 2
0.6716	Remote Similarity	NPD3253	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD7501	Clinical (unspecified phase)
0.6714	Remote Similarity	NPD2339	Phase 3
0.6698	Remote Similarity	NPD5194	Approved
0.6698	Remote Similarity	NPD5071	Phase 2
0.6698	Remote Similarity	NPD5197	Approved
0.6698	Remote Similarity	NPD5196	Approved
0.6696	Remote Similarity	NPD5433	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD1625	Approved
0.6684	Remote Similarity	NPD4888	Discontinued
0.6684	Remote Similarity	NPD6585	Discontinued
0.6683	Remote Similarity	NPD7546	Discontinued
0.6683	Remote Similarity	NPD5896	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9276	Approved
0.6667	Remote Similarity	NPD6793	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9278	Suspended
0.6667	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9274	Approved
0.6667	Remote Similarity	NPD3899	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9275	Approved
0.6667	Remote Similarity	NPD6250	Discontinued
0.6667	Remote Similarity	NPD5726	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD3251	Approved
0.6667	Remote Similarity	NPD7819	Suspended
0.6667	Remote Similarity	NPD6744	Clinical (unspecified phase)
0.6652	Remote Similarity	NPD6962	Phase 2
0.6651	Remote Similarity	NPD7626	Approved
0.6651	Remote Similarity	NPD4082	Approved
0.6651	Remote Similarity	NPD7627	Approved
0.665	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.665	Remote Similarity	NPD3749	Approved
0.6649	Remote Similarity	NPD3750	Approved
0.6649	Remote Similarity	NPD2672	Discontinued
0.6638	Remote Similarity	NPD7417	Discontinued
0.6637	Remote Similarity	NPD6719	Approved
0.6635	Remote Similarity	NPD5620	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD2821	Approved
0.6632	Remote Similarity	NPD1511	Approved
0.6623	Remote Similarity	NPD7186	Phase 3
0.6622	Remote Similarity	NPD7858	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD3153	Approved
0.6618	Remote Similarity	NPD6654	Clinical (unspecified phase)
0.6618	Remote Similarity	NPD3154	Approved
0.6617	Remote Similarity	NPD3451	Clinical (unspecified phase)
0.6617	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6616	Remote Similarity	NPD1168	Approved
0.6616	Remote Similarity	NPD3252	Approved
0.6615	Remote Similarity	NPD1934	Approved
0.6615	Remote Similarity	NPD6801	Discontinued
0.6606	Remote Similarity	NPD5143	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD6296	Discontinued
0.66	Remote Similarity	NPD1839	Phase 1
0.6599	Remote Similarity	NPD7803	Approved
0.6596	Remote Similarity	NPD4613	Phase 2
0.6589	Remote Similarity	NPD5547	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD4515	Suspended
0.658	Remote Similarity	NPD814	Clinical (unspecified phase)
0.6579	Remote Similarity	NPD7545	Clinical (unspecified phase)
0.6575	Remote Similarity	NPD2514	Approved
0.6573	Remote Similarity	NPD6621	Clinical (unspecified phase)
0.6573	Remote Similarity	NPD5195	Discontinued
0.6567	Remote Similarity	NPD2215	Approved
0.6567	Remote Similarity	NPD2216	Approved
0.6564	Remote Similarity	NPD5890	Approved
0.6564	Remote Similarity	NPD5889	Approved
0.6562	Remote Similarity	NPD9509	Clinical (unspecified phase)
0.6562	Remote Similarity	NPD1512	Approved
0.6561	Remote Similarity	NPD683	Approved
0.6558	Remote Similarity	NPD3290	Approved
0.6558	Remote Similarity	NPD3289	Phase 3
0.655	Remote Similarity	NPD6457	Approved
0.655	Remote Similarity	NPD2249	Approved
0.655	Remote Similarity	NPD2247	Approved
0.6543	Remote Similarity	NPD1189	Approved
0.6537	Remote Similarity	NPD6211	Clinical (unspecified phase)
0.6532	Remote Similarity	NPD7301	Phase 3
0.6531	Remote Similarity	NPD7577	Discontinued
0.653	Remote Similarity	NPD7043	Discontinued
0.6524	Remote Similarity	NPD4373	Phase 2
0.652	Remote Similarity	NPD7804	Clinical (unspecified phase)
0.652	Remote Similarity	NPD3965	Phase 1
0.652	Remote Similarity	NPD8155	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD8149	Discontinued
0.6516	Remote Similarity	NPD4997	Clinical (unspecified phase)
0.6516	Remote Similarity	NPD648	Clinical (unspecified phase)
0.6515	Remote Similarity	NPD7768	Phase 2
0.6511	Remote Similarity	NPD4846	Phase 2
0.6509	Remote Similarity	NPD5610	Approved
0.6508	Remote Similarity	NPD1243	Approved
0.65	Remote Similarity	NPD4022	Approved
0.65	Remote Similarity	NPD2906	Approved
0.65	Remote Similarity	NPD2907	Approved
0.65	Remote Similarity	NPD3472	Approved
0.6498	Remote Similarity	NPD6790	Phase 1
0.6497	Remote Similarity	NPD2801	Approved
0.6497	Remote Similarity	NPD2842	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD7174	Clinical (unspecified phase)
0.6482	Remote Similarity	NPD1307	Phase 2
0.6482	Remote Similarity	NPD1309	Phase 2
0.6482	Remote Similarity	NPD6533	Clinical (unspecified phase)
0.648	Remote Similarity	NPD2836	Approved
0.6471	Remote Similarity	NPD1626	Approved
0.6471	Remote Similarity	NPD2361	Approved
0.6468	Remote Similarity	NPD6959	Discontinued
0.6466	Remote Similarity	NPD4952	Phase 3
0.6462	Remote Similarity	NPD4302	Clinical (unspecified phase)
0.646	Remote Similarity	NPD5632	Approved
0.6458	Remote Similarity	NPD6799	Approved
0.6458	Remote Similarity	NPD5488	Discontinued
0.6456	Remote Similarity	NPD6496	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD5445	Approved
0.6456	Remote Similarity	NPD6293	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD3823	Discontinued

Structure

CID288759 OpenBabel06191716092D 22 25 0 0 0 0 0 0 0 0999 V2000 -0.2588 -1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -0.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0000 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 1.5000 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 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 0.5000 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 0.8660 0.5000 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 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 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 3.4641 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 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 18 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 10 2 0 0 0 0 6 12 2 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 18 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	5479541
ChEMBL	CHEMBL454569
ZINC

Physicochemical Properties

Molecular Weight:	293.11
ALogP:	-0.2367
MLogP:	3
XLogP:	2.992
# Rotatable Bonds:	3
Polar Surface Area:	58.56
# H-Bond Aceptor:	2
# H-Bond Donor:	2
# Rings:	4
# Heavy Atoms:	22

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