NPASS Natural Product

Natural Product: NPC64436

Natural Product ID:	NPC64436
Common Name:	Nor-Rhazinicine
IUPAC Name:
Synonyms:
Molecular Formula:	C18H18N2O2
Standard InCHIKey:	COHWSGIPTWGSIO-SFHVURJKSA-N
Standard InCHI:	InChI=1S/C18H18N2O2/c1-2-18-9-7-15(21)19-14-6-4-3-5-12(14)13-8-10-20(17(13)18)16(22)11-18/h3-6,8,10H,2,7,9,11H2,1H3,(H,19,21)/t18-/m0/s1
Canonical SMILES:	CC[C@]12CCC(=Nc3c(c4c2n(C(=O)C1)cc4)cccc3)O
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
NPO10199	Leuconotis griffithii	NA	NA	NA				PMID[23647487]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT91	Cell Line	KB	Homo sapiens	IC50	=	12	ug/ml	16124770

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 NPC64436 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	249
0.1-0.2	1625
0.2-0.3	9934
0.3-0.4	13825
0.4-0.5	2199
0.5-0.6	1471
0.6-0.7	1237
0.7-0.8	337
0.8-0.85	10
0.85-0.9	1
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9448	High Similarity	NPC248462
0.882	High Similarity	NPC129721
0.8305	Intermediate Similarity	NPC17059
0.8258	Intermediate Similarity	NPC213629
0.8182	Intermediate Similarity	NPC159125
0.8167	Intermediate Similarity	NPC117244
0.8167	Intermediate Similarity	NPC473763
0.8034	Intermediate Similarity	NPC228835
0.8023	Intermediate Similarity	NPC78020
0.8011	Intermediate Similarity	NPC213468
0.8	Intermediate Similarity	NPC267885
0.8	Intermediate Similarity	NPC171317
0.7966	Intermediate Similarity	NPC91179
0.7965	Intermediate Similarity	NPC114637
0.7957	Intermediate Similarity	NPC293917
0.7956	Intermediate Similarity	NPC321708
0.7955	Intermediate Similarity	NPC111275
0.7944	Intermediate Similarity	NPC94752
0.7943	Intermediate Similarity	NPC149155
0.7943	Intermediate Similarity	NPC110500
0.7943	Intermediate Similarity	NPC203468
0.7937	Intermediate Similarity	NPC473376
0.7914	Intermediate Similarity	NPC252338
0.791	Intermediate Similarity	NPC126709
0.791	Intermediate Similarity	NPC11126
0.791	Intermediate Similarity	NPC248041
0.7903	Intermediate Similarity	NPC131887
0.7872	Intermediate Similarity	NPC300183
0.7857	Intermediate Similarity	NPC25008
0.7857	Intermediate Similarity	NPC469786
0.7857	Intermediate Similarity	NPC469760
0.7857	Intermediate Similarity	NPC73952
0.7857	Intermediate Similarity	NPC259644
0.7857	Intermediate Similarity	NPC469765
0.7857	Intermediate Similarity	NPC469763
0.7853	Intermediate Similarity	NPC84827
0.7853	Intermediate Similarity	NPC14113
0.7853	Intermediate Similarity	NPC145885
0.7853	Intermediate Similarity	NPC54420
0.7849	Intermediate Similarity	NPC227582
0.7845	Intermediate Similarity	NPC235684
0.7845	Intermediate Similarity	NPC478077
0.7841	Intermediate Similarity	NPC469938
0.7829	Intermediate Similarity	NPC158129
0.7811	Intermediate Similarity	NPC212376
0.7811	Intermediate Similarity	NPC211572
0.7811	Intermediate Similarity	NPC70922
0.7811	Intermediate Similarity	NPC80597
0.7811	Intermediate Similarity	NPC75540
0.7809	Intermediate Similarity	NPC55772
0.7809	Intermediate Similarity	NPC283219
0.7807	Intermediate Similarity	NPC473640
0.7778	Intermediate Similarity	NPC475506
0.7772	Intermediate Similarity	NPC478158
0.7772	Intermediate Similarity	NPC162860
0.7766	Intermediate Similarity	NPC100321
0.7765	Intermediate Similarity	NPC15840
0.7759	Intermediate Similarity	NPC49954
0.7759	Intermediate Similarity	NPC56233
0.7759	Intermediate Similarity	NPC160105
0.7759	Intermediate Similarity	NPC474561
0.7747	Intermediate Similarity	NPC62749
0.7742	Intermediate Similarity	NPC195239
0.7742	Intermediate Similarity	NPC157828
0.7737	Intermediate Similarity	NPC476073
0.7737	Intermediate Similarity	NPC155143
0.7735	Intermediate Similarity	NPC165495
0.7727	Intermediate Similarity	NPC477714
0.7722	Intermediate Similarity	NPC233936
0.7722	Intermediate Similarity	NPC113626
0.7719	Intermediate Similarity	NPC469762
0.7716	Intermediate Similarity	NPC65408
0.7705	Intermediate Similarity	NPC204565
0.7701	Intermediate Similarity	NPC11445
0.7697	Intermediate Similarity	NPC134586
0.7688	Intermediate Similarity	NPC194881
0.7688	Intermediate Similarity	NPC282231
0.7677	Intermediate Similarity	NPC477715
0.7663	Intermediate Similarity	NPC65215
0.7663	Intermediate Similarity	NPC173028
0.7661	Intermediate Similarity	NPC469785
0.7654	Intermediate Similarity	NPC211997
0.7654	Intermediate Similarity	NPC59269
0.7644	Intermediate Similarity	NPC260900
0.7644	Intermediate Similarity	NPC194640
0.7644	Intermediate Similarity	NPC311276
0.7637	Intermediate Similarity	NPC472119
0.763	Intermediate Similarity	NPC279918
0.7624	Intermediate Similarity	NPC71037
0.7619	Intermediate Similarity	NPC149708
0.7614	Intermediate Similarity	NPC63751
0.7614	Intermediate Similarity	NPC54744
0.7609	Intermediate Similarity	NPC317030
0.7607	Intermediate Similarity	NPC150259
0.7605	Intermediate Similarity	NPC314372
0.7596	Intermediate Similarity	NPC308931
0.7596	Intermediate Similarity	NPC99939
0.759	Intermediate Similarity	NPC107077
0.759	Intermediate Similarity	NPC223791
0.7584	Intermediate Similarity	NPC314603
0.7576	Intermediate Similarity	NPC478157
0.7572	Intermediate Similarity	NPC230869
0.7563	Intermediate Similarity	NPC75634
0.7558	Intermediate Similarity	NPC285469
0.7556	Intermediate Similarity	NPC234987
0.7554	Intermediate Similarity	NPC315555
0.7554	Intermediate Similarity	NPC474707
0.7543	Intermediate Similarity	NPC478182
0.7542	Intermediate Similarity	NPC469529
0.7527	Intermediate Similarity	NPC154339
0.7514	Intermediate Similarity	NPC201700
0.7514	Intermediate Similarity	NPC472323
0.7513	Intermediate Similarity	NPC320968
0.75	Intermediate Similarity	NPC267343
0.75	Intermediate Similarity	NPC474177
0.7487	Intermediate Similarity	NPC74413
0.7487	Intermediate Similarity	NPC476460
0.7486	Intermediate Similarity	NPC242116
0.7486	Intermediate Similarity	NPC477976
0.7486	Intermediate Similarity	NPC161861
0.7485	Intermediate Similarity	NPC190296
0.7474	Intermediate Similarity	NPC262898
0.746	Intermediate Similarity	NPC294693
0.746	Intermediate Similarity	NPC133366
0.7459	Intermediate Similarity	NPC248454
0.7458	Intermediate Similarity	NPC54988
0.7446	Intermediate Similarity	NPC477003
0.7443	Intermediate Similarity	NPC40779
0.7442	Intermediate Similarity	NPC200214
0.7442	Intermediate Similarity	NPC200743
0.7435	Intermediate Similarity	NPC67288
0.7429	Intermediate Similarity	NPC81229
0.7429	Intermediate Similarity	NPC255229
0.7427	Intermediate Similarity	NPC24678
0.7427	Intermediate Similarity	NPC105818
0.7423	Intermediate Similarity	NPC98715
0.7421	Intermediate Similarity	NPC179701
0.7411	Intermediate Similarity	NPC271862
0.741	Intermediate Similarity	NPC104483
0.7405	Intermediate Similarity	NPC62510
0.7405	Intermediate Similarity	NPC15102
0.7399	Intermediate Similarity	NPC207726
0.7391	Intermediate Similarity	NPC143533
0.7387	Intermediate Similarity	NPC31385
0.7387	Intermediate Similarity	NPC75726
0.7387	Intermediate Similarity	NPC110602
0.7387	Intermediate Similarity	NPC153980
0.7387	Intermediate Similarity	NPC6865
0.7386	Intermediate Similarity	NPC16667
0.7376	Intermediate Similarity	NPC473310
0.7371	Intermediate Similarity	NPC293487
0.7371	Intermediate Similarity	NPC92796
0.7371	Intermediate Similarity	NPC135141
0.7371	Intermediate Similarity	NPC57398
0.7368	Intermediate Similarity	NPC289299
0.7368	Intermediate Similarity	NPC57994
0.7356	Intermediate Similarity	NPC470729
0.7356	Intermediate Similarity	NPC477175
0.7356	Intermediate Similarity	NPC477176
0.7356	Intermediate Similarity	NPC470730
0.7354	Intermediate Similarity	NPC471386
0.7351	Intermediate Similarity	NPC258480
0.7344	Intermediate Similarity	NPC470499
0.7343	Intermediate Similarity	NPC476491
0.7337	Intermediate Similarity	NPC72956
0.733	Intermediate Similarity	NPC131718
0.7322	Intermediate Similarity	NPC219336
0.7322	Intermediate Similarity	NPC133261
0.7321	Intermediate Similarity	NPC477177
0.7321	Intermediate Similarity	NPC475969
0.7321	Intermediate Similarity	NPC475859
0.7321	Intermediate Similarity	NPC474877
0.7312	Intermediate Similarity	NPC472107
0.7312	Intermediate Similarity	NPC79062
0.731	Intermediate Similarity	NPC225821
0.731	Intermediate Similarity	NPC46225
0.7305	Intermediate Similarity	NPC73767
0.7302	Intermediate Similarity	NPC472097
0.73	Intermediate Similarity	NPC151976
0.73	Intermediate Similarity	NPC87856
0.7297	Intermediate Similarity	NPC469358
0.7297	Intermediate Similarity	NPC163055
0.7294	Intermediate Similarity	NPC159856
0.7292	Intermediate Similarity	NPC229332
0.7291	Intermediate Similarity	NPC475736
0.7287	Intermediate Similarity	NPC175474
0.7286	Intermediate Similarity	NPC165743
0.7283	Intermediate Similarity	NPC16659
0.7283	Intermediate Similarity	NPC24864
0.7283	Intermediate Similarity	NPC472260
0.7282	Intermediate Similarity	NPC476874
0.7273	Intermediate Similarity	NPC67056
0.7273	Intermediate Similarity	NPC66210
0.7273	Intermediate Similarity	NPC127677
0.7273	Intermediate Similarity	NPC258062
0.7268	Intermediate Similarity	NPC217372
0.7268	Intermediate Similarity	NPC15573
0.7268	Intermediate Similarity	NPC151939
0.7268	Intermediate Similarity	NPC284775
0.7268	Intermediate Similarity	NPC326575

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC64436 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	178
0.1-0.2	548
0.2-0.3	993
0.3-0.4	1589
0.4-0.5	2476
0.5-0.6	2213
0.6-0.7	984
0.7-0.8	175
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8304	Intermediate Similarity	NPD750	Phase 2
0.8251	Intermediate Similarity	NPD6999	Discontinued
0.8251	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.8132	Intermediate Similarity	NPD7944	Discontinued
0.8	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7989	Intermediate Similarity	NPD7001	Phase 3
0.7957	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7943	Intermediate Similarity	NPD482	Approved
0.7941	Intermediate Similarity	NPD6454	Clinical (unspecified phase)
0.7937	Intermediate Similarity	NPD5426	Phase 3
0.7933	Intermediate Similarity	NPD2096	Phase 2
0.7933	Intermediate Similarity	NPD2091	Phase 2
0.7906	Intermediate Similarity	NPD7665	Phase 2
0.7906	Intermediate Similarity	NPD7666	Phase 3
0.7895	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.7877	Intermediate Similarity	NPD2092	Phase 2
0.7877	Intermediate Similarity	NPD2095	Phase 2
0.7877	Intermediate Similarity	NPD2094	Phase 2
0.7836	Intermediate Similarity	NPD2511	Approved
0.7796	Intermediate Similarity	NPD7818	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD7903	Clinical (unspecified phase)
0.7744	Intermediate Similarity	NPD4852	Phase 2
0.7727	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7716	Intermediate Similarity	NPD201	Phase 2
0.7716	Intermediate Similarity	NPD200	Phase 2
0.7697	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.768	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.767	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7668	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7667	Intermediate Similarity	NPD6595	Phase 3
0.7656	Intermediate Similarity	NPD6987	Phase 1
0.7647	Intermediate Similarity	NPD7619	Phase 3
0.7647	Intermediate Similarity	NPD7618	Phase 3
0.7624	Intermediate Similarity	NPD4383	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD4703	Approved
0.7619	Intermediate Similarity	NPD4702	Approved
0.7602	Intermediate Similarity	NPD7470	Discontinued
0.7581	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD2896	Discontinued
0.7552	Intermediate Similarity	NPD5721	Clinical (unspecified phase)
0.7545	Intermediate Similarity	NPD751	Clinical (unspecified phase)
0.754	Intermediate Similarity	NPD5505	Discontinued
0.75	Intermediate Similarity	NPD8000	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7475	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7462	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.7459	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7458	Intermediate Similarity	NPD4174	Clinical (unspecified phase)
0.7438	Intermediate Similarity	NPD1031	Discontinued
0.7427	Intermediate Similarity	NPD2172	Phase 1
0.7416	Intermediate Similarity	NPD4640	Approved
0.7416	Intermediate Similarity	NPD4638	Approved
0.7416	Intermediate Similarity	NPD4639	Approved
0.7409	Intermediate Similarity	NPD5017	Discontinued
0.7403	Intermediate Similarity	NPD5471	Phase 3
0.74	Intermediate Similarity	NPD7970	Approved
0.74	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD6661	Clinical (unspecified phase)
0.7385	Intermediate Similarity	NPD8272	Phase 2
0.7374	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD4602	Approved
0.7363	Intermediate Similarity	NPD2144	Approved
0.7354	Intermediate Similarity	NPD6665	Discontinued
0.7348	Intermediate Similarity	NPD4736	Clinical (unspecified phase)
0.7318	Intermediate Similarity	NPD2844	Phase 3
0.7312	Intermediate Similarity	NPD5555	Phase 1
0.731	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD4075	Phase 2
0.7303	Intermediate Similarity	NPD1568	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD2336	Approved
0.7297	Intermediate Similarity	NPD4345	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD5901	Discontinued
0.7292	Intermediate Similarity	NPD6664	Approved
0.7287	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.7286	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD3654	Approved
0.7278	Intermediate Similarity	NPD1573	Approved
0.7278	Intermediate Similarity	NPD1575	Approved
0.7278	Intermediate Similarity	NPD3717	Discontinued
0.7273	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD4397	Phase 1
0.7253	Intermediate Similarity	NPD5065	Approved
0.7243	Intermediate Similarity	NPD3038	Discontinued
0.7239	Intermediate Similarity	NPD3476	Approved
0.7239	Intermediate Similarity	NPD3475	Approved
0.7238	Intermediate Similarity	NPD5472	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD4336	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7214	Intermediate Similarity	NPD8093	Discontinued
0.7213	Intermediate Similarity	NPD5100	Phase 3
0.7211	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD4547	Phase 3
0.7208	Intermediate Similarity	NPD3947	Discontinued
0.7208	Intermediate Similarity	NPD7712	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD786	Approved
0.72	Intermediate Similarity	NPD5257	Clinical (unspecified phase)
0.7191	Intermediate Similarity	NPD5400	Approved
0.719	Intermediate Similarity	NPD7824	Approved
0.7189	Intermediate Similarity	NPD5898	Approved
0.7189	Intermediate Similarity	NPD5897	Approved
0.7189	Intermediate Similarity	NPD5899	Approved
0.7188	Intermediate Similarity	NPD4427	Phase 2
0.7184	Intermediate Similarity	NPD5965	Clinical (unspecified phase)
0.7181	Intermediate Similarity	NPD6217	Discontinued
0.7179	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD8094	Discontinued
0.7166	Intermediate Similarity	NPD7564	Discontinued
0.7166	Intermediate Similarity	NPD6178	Phase 3
0.716	Intermediate Similarity	NPD2119	Approved
0.716	Intermediate Similarity	NPD2118	Approved
0.7158	Intermediate Similarity	NPD5322	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD2307	Discontinued
0.7143	Intermediate Similarity	NPD4948	Discontinued
0.7143	Intermediate Similarity	NPD8431	Approved
0.7143	Intermediate Similarity	NPD2012	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD4326	Phase 2
0.711	Intermediate Similarity	NPD1661	Suspended
0.7108	Intermediate Similarity	NPD3385	Approved
0.7105	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7234	Approved
0.7105	Intermediate Similarity	NPD7233	Approved
0.7102	Intermediate Similarity	NPD2809	Approved
0.71	Intermediate Similarity	NPD2509	Approved
0.71	Intermediate Similarity	NPD2510	Approved
0.7098	Intermediate Similarity	NPD5975	Clinical (unspecified phase)
0.7097	Intermediate Similarity	NPD6452	Discontinued
0.7095	Intermediate Similarity	NPD7730	Approved
0.7095	Intermediate Similarity	NPD7731	Approved
0.7092	Intermediate Similarity	NPD484	Approved
0.709	Intermediate Similarity	NPD5809	Phase 3
0.7089	Intermediate Similarity	NPD7952	Approved
0.7089	Intermediate Similarity	NPD7950	Approved
0.7089	Intermediate Similarity	NPD7789	Approved
0.7089	Intermediate Similarity	NPD7953	Approved
0.7089	Intermediate Similarity	NPD7951	Approved
0.7089	Intermediate Similarity	NPD7790	Approved
0.7089	Intermediate Similarity	NPD7791	Approved
0.7085	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD7271	Approved
0.7079	Intermediate Similarity	NPD5255	Approved
0.7077	Intermediate Similarity	NPD6846	Clinical (unspecified phase)
0.7074	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.7073	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD2642	Approved
0.7072	Intermediate Similarity	NPD2639	Approved
0.7069	Intermediate Similarity	NPD3100	Discontinued
0.7068	Intermediate Similarity	NPD4499	Approved
0.7067	Intermediate Similarity	NPD6995	Phase 1
0.7062	Intermediate Similarity	NPD2580	Discontinued
0.7062	Intermediate Similarity	NPD4848	Phase 1
0.7056	Intermediate Similarity	NPD3583	Phase 2
0.7056	Intermediate Similarity	NPD1631	Approved
0.7056	Intermediate Similarity	NPD8129	Discovery
0.7053	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7053	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7048	Intermediate Similarity	NPD7711	Discontinued
0.7043	Intermediate Similarity	NPD4076	Approved
0.7043	Intermediate Similarity	NPD4079	Approved
0.7041	Intermediate Similarity	NPD6137	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7033	Intermediate Similarity	NPD5862	Discovery
0.7031	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.7026	Intermediate Similarity	NPD2880	Discontinued
0.702	Intermediate Similarity	NPD8073	Approved
0.702	Intermediate Similarity	NPD7187	Phase 2
0.7018	Intermediate Similarity	NPD4805	Approved
0.7018	Intermediate Similarity	NPD1722	Approved
0.7006	Intermediate Similarity	NPD4029	Approved
0.7006	Intermediate Similarity	NPD4030	Approved
0.7006	Intermediate Similarity	NPD4028	Approved
0.7005	Intermediate Similarity	NPD7168	Phase 3
0.7005	Intermediate Similarity	NPD2305	Discontinued
0.7005	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD7026	Phase 2
0.7	Intermediate Similarity	NPD5820	Clinical (unspecified phase)
0.6995	Remote Similarity	NPD3430	Approved
0.6995	Remote Similarity	NPD3431	Approved
0.699	Remote Similarity	NPD6710	Phase 3
0.6989	Remote Similarity	NPD3506	Approved
0.6989	Remote Similarity	NPD3505	Approved
0.6985	Remote Similarity	NPD8072	Approved
0.6981	Remote Similarity	NPD7781	Approved
0.6981	Remote Similarity	NPD7780	Approved
0.6979	Remote Similarity	NPD3871	Clinical (unspecified phase)
0.6979	Remote Similarity	NPD6281	Approved
0.6979	Remote Similarity	NPD3870	Clinical (unspecified phase)
0.6978	Remote Similarity	NPD5611	Phase 2
0.6977	Remote Similarity	NPD2006	Phase 2
0.6974	Remote Similarity	NPD6449	Clinical (unspecified phase)
0.6971	Remote Similarity	NPD2430	Phase 2
0.6966	Remote Similarity	NPD276	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD3961	Discontinued
0.6963	Remote Similarity	NPD4988	Discontinued
0.6963	Remote Similarity	NPD3002	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD6148	Clinical (unspecified phase)

Structure

NPC64436 OpenBabel07101718282D 22 25 0 0 1 0 0 0 0 0999 V2000 -1.3059 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 3.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2612 2.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 2.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 -0.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2514 0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6597 1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6597 2.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2954 0.9092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 1.4711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2514 2.7276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 3.8982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -0.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 12 2 0 0 0 0 6 14 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 18 1 0 0 0 0 10 20 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 17 2 0 0 0 0 14 19 1 0 0 0 0 15 19 2 3 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 2 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	71714596
ChEMBL	CHEMBL2375647
ZINC

Physicochemical Properties

Molecular Weight:	294.14
ALogP:	-0.6473
MLogP:	3
XLogP:	3.726
# Rotatable Bonds:	3
Polar Surface Area:	54.59
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	22

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