NPASS Natural Product

Natural Product: NPC124030

Natural Product ID:	NPC124030
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C20H28O2
Standard InCHIKey:	GEWCWNAWJXKTGO-BJLQDIEVSA-N
Standard InCHI:	InChI=1S/C20H28O2/c1-12(2)14-9-15-13(8-16(14)21)11-20-7-5-6-19(3,4)18(20)10-17(15)22-20/h8-9,12,17-18,21H,5-7,10-11H2,1-4H3/t17-,18-,20-/m0/s1
Canonical SMILES:	CC(c1cc2[C@@H]3C[C@@H]4[C@@](O3)(Cc2cc1O)CCCC4(C)C)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
NPO32493	euonymus lutchuensis	Species	Celastraceae	Eukaryota				PMID[23755851]

Biological Activity

Activity Type	# Activity
IC50	3

Activity Type	# Activity
Cell Line	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	<	5	ug/ml	10.6019/CHEMBL1201861
NPT168	Cell Line	P388	Mus musculus	IC50	<	5	ug/ml	17470649
NPT116	Cell Line	HL-60	Homo sapiens	IC50	<	5	ug/ml	PubChem BioAssay data set

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 NPC124030 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	228
0.1-0.2	1051
0.2-0.3	1922
0.3-0.4	4258
0.4-0.5	8153
0.5-0.6	4581
0.6-0.7	8002
0.7-0.8	2478
0.8-0.85	167
0.85-0.9	45
0.9-0.95	4
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.936	High Similarity	NPC78575
0.904	High Similarity	NPC471077
0.904	High Similarity	NPC186889
0.9	High Similarity	NPC471671
0.8984	High Similarity	NPC321086
0.8976	High Similarity	NPC99795
0.8976	High Similarity	NPC196193
0.8926	High Similarity	NPC469644
0.8917	High Similarity	NPC172219
0.8917	High Similarity	NPC304510
0.8852	High Similarity	NPC260832
0.8852	High Similarity	NPC135467
0.8843	High Similarity	NPC154030
0.8837	High Similarity	NPC59239
0.8837	High Similarity	NPC165612
0.8833	High Similarity	NPC477137
0.8833	High Similarity	NPC38893
0.8833	High Similarity	NPC308311
0.8819	High Similarity	NPC223912
0.881	High Similarity	NPC43000
0.881	High Similarity	NPC100414
0.881	High Similarity	NPC321822
0.881	High Similarity	NPC325294
0.876	High Similarity	NPC477136
0.875	High Similarity	NPC192948
0.875	High Similarity	NPC35797
0.874	High Similarity	NPC108164
0.8699	High Similarity	NPC3239
0.8699	High Similarity	NPC282255
0.8689	High Similarity	NPC469609
0.8678	High Similarity	NPC219112
0.8661	High Similarity	NPC470724
0.864	High Similarity	NPC152946
0.8615	High Similarity	NPC312341
0.8595	High Similarity	NPC147179
0.8583	High Similarity	NPC176730
0.8583	High Similarity	NPC76119
0.8583	High Similarity	NPC470726
0.8583	High Similarity	NPC123175
0.8583	High Similarity	NPC293801
0.8583	High Similarity	NPC4286
0.8571	High Similarity	NPC260323
0.8571	High Similarity	NPC176279
0.8525	High Similarity	NPC92
0.8525	High Similarity	NPC471668
0.8525	High Similarity	NPC469663
0.8525	High Similarity	NPC308828
0.8512	High Similarity	NPC268160
0.85	High Similarity	NPC250323
0.8492	Intermediate Similarity	NPC150026
0.848	Intermediate Similarity	NPC328504
0.8417	Intermediate Similarity	NPC151537
0.8413	Intermediate Similarity	NPC474115
0.8409	Intermediate Similarity	NPC472798
0.8397	Intermediate Similarity	NPC470727
0.839	Intermediate Similarity	NPC151477
0.8361	Intermediate Similarity	NPC195922
0.8347	Intermediate Similarity	NPC228425
0.8346	Intermediate Similarity	NPC49742
0.8346	Intermediate Similarity	NPC471794
0.8346	Intermediate Similarity	NPC227719
0.8346	Intermediate Similarity	NPC57199
0.8333	Intermediate Similarity	NPC141782
0.8333	Intermediate Similarity	NPC160623
0.8333	Intermediate Similarity	NPC13482
0.8333	Intermediate Similarity	NPC132720
0.8321	Intermediate Similarity	NPC472797
0.832	Intermediate Similarity	NPC126002
0.832	Intermediate Similarity	NPC93071
0.8306	Intermediate Similarity	NPC476266
0.8296	Intermediate Similarity	NPC68292
0.8295	Intermediate Similarity	NPC476653
0.8295	Intermediate Similarity	NPC105031
0.8295	Intermediate Similarity	NPC81641
0.8293	Intermediate Similarity	NPC469719
0.8286	Intermediate Similarity	NPC471608
0.8284	Intermediate Similarity	NPC473107
0.8271	Intermediate Similarity	NPC13005
0.8271	Intermediate Similarity	NPC27578
0.8271	Intermediate Similarity	NPC289624
0.8271	Intermediate Similarity	NPC85595
0.8261	Intermediate Similarity	NPC186033
0.8258	Intermediate Similarity	NPC27187
0.8258	Intermediate Similarity	NPC470225
0.8254	Intermediate Similarity	NPC68339
0.824	Intermediate Similarity	NPC48342
0.824	Intermediate Similarity	NPC206
0.824	Intermediate Similarity	NPC164649
0.8226	Intermediate Similarity	NPC474387
0.8226	Intermediate Similarity	NPC154511
0.8226	Intermediate Similarity	NPC247858
0.8226	Intermediate Similarity	NPC137496
0.8226	Intermediate Similarity	NPC141001
0.8226	Intermediate Similarity	NPC312105
0.8226	Intermediate Similarity	NPC474358
0.8226	Intermediate Similarity	NPC257540
0.822	Intermediate Similarity	NPC117115
0.8217	Intermediate Similarity	NPC181334
0.8211	Intermediate Similarity	NPC471534
0.8203	Intermediate Similarity	NPC11250
0.8203	Intermediate Similarity	NPC71094
0.8203	Intermediate Similarity	NPC478058
0.8197	Intermediate Similarity	NPC46940
0.8195	Intermediate Similarity	NPC150011
0.8195	Intermediate Similarity	NPC129784
0.8195	Intermediate Similarity	NPC207892
0.8195	Intermediate Similarity	NPC12875
0.8195	Intermediate Similarity	NPC129106
0.8195	Intermediate Similarity	NPC268917
0.8195	Intermediate Similarity	NPC228369
0.8195	Intermediate Similarity	NPC300875
0.8195	Intermediate Similarity	NPC271945
0.8195	Intermediate Similarity	NPC476166
0.8195	Intermediate Similarity	NPC164574
0.8195	Intermediate Similarity	NPC118114
0.8195	Intermediate Similarity	NPC17343
0.8195	Intermediate Similarity	NPC181497
0.8195	Intermediate Similarity	NPC196765
0.8195	Intermediate Similarity	NPC206224
0.8195	Intermediate Similarity	NPC280653
0.8195	Intermediate Similarity	NPC236014
0.8194	Intermediate Similarity	NPC476452
0.8189	Intermediate Similarity	NPC129176
0.8182	Intermediate Similarity	NPC472796
0.8182	Intermediate Similarity	NPC472795
0.8182	Intermediate Similarity	NPC16577
0.8175	Intermediate Similarity	NPC151197
0.8168	Intermediate Similarity	NPC473134
0.8162	Intermediate Similarity	NPC472800
0.8162	Intermediate Similarity	NPC126101
0.8162	Intermediate Similarity	NPC327735
0.8154	Intermediate Similarity	NPC87985
0.8151	Intermediate Similarity	NPC21594
0.8148	Intermediate Similarity	NPC471942
0.8148	Intermediate Similarity	NPC97834
0.8148	Intermediate Similarity	NPC225696
0.8148	Intermediate Similarity	NPC223008
0.8148	Intermediate Similarity	NPC198154
0.8148	Intermediate Similarity	NPC296915
0.8148	Intermediate Similarity	NPC115335
0.8143	Intermediate Similarity	NPC473845
0.814	Intermediate Similarity	NPC471187
0.813	Intermediate Similarity	NPC715
0.8129	Intermediate Similarity	NPC272907
0.8129	Intermediate Similarity	NPC2681
0.8125	Intermediate Similarity	NPC48623
0.8125	Intermediate Similarity	NPC475166
0.8125	Intermediate Similarity	NPC77569
0.8125	Intermediate Similarity	NPC142198
0.8125	Intermediate Similarity	NPC168707
0.812	Intermediate Similarity	NPC249425
0.8116	Intermediate Similarity	NPC164743
0.8115	Intermediate Similarity	NPC95716
0.8115	Intermediate Similarity	NPC469912
0.8115	Intermediate Similarity	NPC322753
0.811	Intermediate Similarity	NPC103916
0.8106	Intermediate Similarity	NPC215300
0.8106	Intermediate Similarity	NPC201069
0.8106	Intermediate Similarity	NPC148366
0.8106	Intermediate Similarity	NPC211179
0.8106	Intermediate Similarity	NPC38604
0.8106	Intermediate Similarity	NPC311293
0.8099	Intermediate Similarity	NPC58865
0.8099	Intermediate Similarity	NPC306045
0.8099	Intermediate Similarity	NPC246229
0.8099	Intermediate Similarity	NPC265211
0.8099	Intermediate Similarity	NPC191899
0.8092	Intermediate Similarity	NPC170485
0.8085	Intermediate Similarity	NPC469557
0.8077	Intermediate Similarity	NPC248557
0.8077	Intermediate Similarity	NPC265413
0.8077	Intermediate Similarity	NPC10154
0.8077	Intermediate Similarity	NPC61685
0.8074	Intermediate Similarity	NPC85435
0.8074	Intermediate Similarity	NPC469610
0.8074	Intermediate Similarity	NPC177712
0.8074	Intermediate Similarity	NPC185777
0.8074	Intermediate Similarity	NPC211352
0.8074	Intermediate Similarity	NPC24913
0.8062	Intermediate Similarity	NPC121168
0.806	Intermediate Similarity	NPC191395
0.806	Intermediate Similarity	NPC473047
0.806	Intermediate Similarity	NPC153019
0.806	Intermediate Similarity	NPC238168
0.806	Intermediate Similarity	NPC237424
0.8058	Intermediate Similarity	NPC265075
0.8049	Intermediate Similarity	NPC153795
0.8049	Intermediate Similarity	NPC228452
0.8049	Intermediate Similarity	NPC290353
0.8049	Intermediate Similarity	NPC42911
0.8047	Intermediate Similarity	NPC470414
0.8047	Intermediate Similarity	NPC32322
0.8047	Intermediate Similarity	NPC45663
0.8047	Intermediate Similarity	NPC259703
0.8045	Intermediate Similarity	NPC96719
0.8045	Intermediate Similarity	NPC222108
0.8045	Intermediate Similarity	NPC131684
0.803	Intermediate Similarity	NPC53781
0.803	Intermediate Similarity	NPC469386
0.8028	Intermediate Similarity	NPC84786

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC124030 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	228
0.1-0.2	882
0.2-0.3	1233
0.3-0.4	2511
0.4-0.5	2309
0.5-0.6	1203
0.6-0.7	657
0.7-0.8	131
0.8-0.85	7
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8359	Intermediate Similarity	NPD6696	Suspended
0.8258	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.824	Intermediate Similarity	NPD3091	Approved
0.8182	Intermediate Similarity	NPD4625	Phase 3
0.8168	Intermediate Similarity	NPD2861	Phase 2
0.8125	Intermediate Similarity	NPD3092	Approved
0.8	Intermediate Similarity	NPD4749	Approved
0.7955	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD5736	Approved
0.7883	Intermediate Similarity	NPD4097	Suspended
0.7879	Intermediate Similarity	NPD3094	Phase 2
0.7868	Intermediate Similarity	NPD3620	Phase 2
0.7868	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7863	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7863	Intermediate Similarity	NPD5327	Phase 3
0.7852	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD4059	Approved
0.7829	Intermediate Similarity	NPD3095	Discontinued
0.782	Intermediate Similarity	NPD4624	Approved
0.781	Intermediate Similarity	NPD5735	Approved
0.7801	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.776	Intermediate Similarity	NPD7635	Approved
0.7754	Intermediate Similarity	NPD6353	Approved
0.7737	Intermediate Similarity	NPD4140	Approved
0.7714	Intermediate Similarity	NPD6099	Approved
0.7714	Intermediate Similarity	NPD6100	Approved
0.771	Intermediate Similarity	NPD1610	Phase 2
0.7704	Intermediate Similarity	NPD4908	Phase 1
0.7692	Intermediate Similarity	NPD2932	Approved
0.7692	Intermediate Similarity	NPD4626	Approved
0.7692	Intermediate Similarity	NPD3019	Approved
0.7674	Intermediate Similarity	NPD7741	Discontinued
0.7664	Intermediate Similarity	NPD6663	Approved
0.7661	Intermediate Similarity	NPD4750	Phase 3
0.7656	Intermediate Similarity	NPD7340	Approved
0.7655	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7642	Intermediate Similarity	NPD2342	Discontinued
0.7615	Intermediate Similarity	NPD5691	Approved
0.7609	Intermediate Similarity	NPD4060	Phase 1
0.7559	Intermediate Similarity	NPD1398	Phase 1
0.7557	Intermediate Similarity	NPD5126	Approved
0.7557	Intermediate Similarity	NPD5125	Phase 3
0.7542	Intermediate Similarity	NPD1809	Phase 2
0.7535	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3020	Approved
0.7479	Intermediate Similarity	NPD288	Approved
0.7442	Intermediate Similarity	NPD6671	Approved
0.7431	Intermediate Similarity	NPD6674	Discontinued
0.7407	Intermediate Similarity	NPD8651	Approved
0.7395	Intermediate Similarity	NPD844	Approved
0.7379	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7295	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7292	Intermediate Similarity	NPD5762	Approved
0.7292	Intermediate Similarity	NPD5763	Approved
0.7287	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD1283	Approved
0.7273	Intermediate Similarity	NPD1548	Phase 1
0.7266	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD2157	Approved
0.725	Intermediate Similarity	NPD2859	Approved
0.725	Intermediate Similarity	NPD2860	Approved
0.7244	Intermediate Similarity	NPD3022	Approved
0.7244	Intermediate Similarity	NPD3021	Approved
0.7241	Intermediate Similarity	NPD7037	Approved
0.7234	Intermediate Similarity	NPD2238	Phase 2
0.7234	Intermediate Similarity	NPD1613	Approved
0.7234	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.723	Intermediate Similarity	NPD7041	Phase 2
0.7227	Intermediate Similarity	NPD845	Approved
0.7226	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7218	Intermediate Similarity	NPD1651	Approved
0.7215	Intermediate Similarity	NPD2969	Approved
0.7215	Intermediate Similarity	NPD2970	Approved
0.7214	Intermediate Similarity	NPD3764	Approved
0.7185	Intermediate Similarity	NPD3705	Approved
0.7185	Intermediate Similarity	NPD5350	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD5351	Clinical (unspecified phase)
0.7183	Intermediate Similarity	NPD3657	Discovery
0.717	Intermediate Similarity	NPD27	Approved
0.717	Intermediate Similarity	NPD2489	Approved
0.7167	Intermediate Similarity	NPD2934	Approved
0.7167	Intermediate Similarity	NPD2933	Approved
0.7164	Intermediate Similarity	NPD1778	Approved
0.7164	Intermediate Similarity	NPD2286	Discontinued
0.7164	Intermediate Similarity	NPD1751	Approved
0.7153	Intermediate Similarity	NPD7742	Approved
0.7153	Intermediate Similarity	NPD7743	Approved
0.7152	Intermediate Similarity	NPD3051	Approved
0.7143	Intermediate Similarity	NPD3027	Phase 3
0.7143	Intermediate Similarity	NPD7003	Approved
0.7143	Intermediate Similarity	NPD5929	Approved
0.7132	Intermediate Similarity	NPD2230	Approved
0.7132	Intermediate Similarity	NPD2232	Approved
0.7132	Intermediate Similarity	NPD2233	Approved
0.7122	Intermediate Similarity	NPD3637	Approved
0.7122	Intermediate Similarity	NPD3635	Approved
0.7122	Intermediate Similarity	NPD3636	Approved
0.7122	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD3023	Approved
0.7111	Intermediate Similarity	NPD3026	Approved
0.7097	Intermediate Similarity	NPD846	Approved
0.7097	Intermediate Similarity	NPD940	Approved
0.709	Intermediate Similarity	NPD3024	Approved
0.709	Intermediate Similarity	NPD4093	Discontinued
0.709	Intermediate Similarity	NPD3025	Approved
0.7078	Intermediate Similarity	NPD37	Approved
0.7071	Intermediate Similarity	NPD2606	Approved
0.7071	Intermediate Similarity	NPD2605	Approved
0.7071	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD6234	Discontinued
0.7067	Intermediate Similarity	NPD2532	Approved
0.7067	Intermediate Similarity	NPD2533	Approved
0.7067	Intermediate Similarity	NPD2534	Approved
0.7063	Intermediate Similarity	NPD5124	Phase 1
0.7063	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD1281	Approved
0.7055	Intermediate Similarity	NPD4725	Approved
0.7055	Intermediate Similarity	NPD4721	Approved
0.7055	Intermediate Similarity	NPD4726	Approved
0.7051	Intermediate Similarity	NPD4965	Approved
0.7051	Intermediate Similarity	NPD4966	Approved
0.7051	Intermediate Similarity	NPD4967	Phase 2
0.705	Intermediate Similarity	NPD6584	Phase 3
0.7045	Intermediate Similarity	NPD7157	Approved
0.7042	Intermediate Similarity	NPD8032	Phase 2
0.704	Intermediate Similarity	NPD5700	Clinical (unspecified phase)
0.7037	Intermediate Similarity	NPD5238	Clinical (unspecified phase)
0.7034	Intermediate Similarity	NPD4108	Discontinued
0.7034	Intermediate Similarity	NPD1753	Discontinued
0.7027	Intermediate Similarity	NPD8166	Discontinued
0.7023	Intermediate Similarity	NPD5283	Phase 1
0.7021	Intermediate Similarity	NPD5155	Approved
0.7021	Intermediate Similarity	NPD5156	Approved
0.702	Intermediate Similarity	NPD6273	Approved
0.7	Intermediate Similarity	NPD1712	Approved
0.6993	Remote Similarity	NPD2979	Phase 3
0.6992	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD6959	Discontinued
0.6972	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD7294	Phase 1
0.6972	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD1357	Approved
0.6959	Remote Similarity	NPD3638	Discontinued
0.6957	Remote Similarity	NPD1669	Approved
0.695	Remote Similarity	NPD3594	Approved
0.695	Remote Similarity	NPD3595	Approved
0.694	Remote Similarity	NPD7644	Approved
0.6934	Remote Similarity	NPD1611	Approved
0.6934	Remote Similarity	NPD1201	Approved
0.6933	Remote Similarity	NPD5058	Phase 3
0.6929	Remote Similarity	NPD2194	Approved
0.6929	Remote Similarity	NPD2195	Approved
0.6928	Remote Similarity	NPD7313	Approved
0.6928	Remote Similarity	NPD4578	Approved
0.6928	Remote Similarity	NPD7312	Approved
0.6928	Remote Similarity	NPD4577	Approved
0.6928	Remote Similarity	NPD7310	Approved
0.6928	Remote Similarity	NPD7311	Approved
0.6918	Remote Similarity	NPD5588	Approved
0.6917	Remote Similarity	NPD4198	Discontinued
0.6913	Remote Similarity	NPD4628	Phase 3
0.6912	Remote Similarity	NPD2667	Approved
0.6912	Remote Similarity	NPD2668	Approved
0.6912	Remote Similarity	NPD4589	Approved
0.6908	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD6090	Discontinued
0.6901	Remote Similarity	NPD7095	Approved
0.6899	Remote Similarity	NPD2684	Approved
0.6894	Remote Similarity	NPD2228	Approved
0.6894	Remote Similarity	NPD2234	Approved
0.6894	Remote Similarity	NPD2229	Approved
0.6894	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6886	Remote Similarity	NPD7309	Approved
0.6883	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.688	Remote Similarity	NPD1242	Phase 1
0.6879	Remote Similarity	NPD2563	Approved
0.6879	Remote Similarity	NPD2560	Approved
0.6875	Remote Similarity	NPD3109	Approved
0.6875	Remote Similarity	NPD3110	Approved
0.6871	Remote Similarity	NPD2438	Suspended
0.6871	Remote Similarity	NPD7228	Approved
0.687	Remote Similarity	NPD228	Approved
0.6867	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD5699	Approved
0.6857	Remote Similarity	NPD4104	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD4103	Phase 2
0.6855	Remote Similarity	NPD5709	Phase 3
0.6849	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD4536	Approved
0.6849	Remote Similarity	NPD4978	Clinical (unspecified phase)
0.6849	Remote Similarity	NPD4538	Approved
0.6846	Remote Similarity	NPD1792	Phase 2
0.6842	Remote Similarity	NPD497	Approved
0.6842	Remote Similarity	NPD7422	Clinical (unspecified phase)
0.6838	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD6583	Phase 3
0.6835	Remote Similarity	NPD6582	Phase 2

Structure

NPC124030 OpenBabel07101718322D 22 25 0 0 1 0 0 0 0 0999 V2000 -3.3637 -0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4977 -2.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0776 1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1177 1.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 0.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 -0.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1695 -1.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 0.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4977 -1.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 -0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3844 -0.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6317 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -0.9839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6034 -0.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5633 0.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8806 0.4739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4977 0.6851 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 12 1 0 0 0 0 2 12 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 8 13 2 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 17 10 1 1 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 6 0 0 0 20 7 1 6 0 0 0 20 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	71726405
ChEMBL	CHEMBL2386525
ZINC

Physicochemical Properties

Molecular Weight:	300.21
ALogP:	1.1099
MLogP:	3.44
XLogP:	5.353
# Rotatable Bonds:	6
Polar Surface Area:	29.46
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	22

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