NPASS Natural Product

Natural Product: NPC209959

Natural Product ID:	NPC209959
Common Name:	Grevillol
IUPAC Name:	3,5-dihydroxy-2-tridecylbenzoic acid
Synonyms:	Grevillol
Molecular Formula:	C20H32O4
Standard InCHIKey:	ZQEUSILVHHMGIF-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(20(23)24)14-16(21)15-19(17)22/h14-15,21-22H,2-13H2,1H3,(H,23,24)
Canonical SMILES:	CCCCCCCCCCCCCc1c(O)cc(cc1C(=O)O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO22588	Lysimachia japonica	Species	Primulaceae	Eukaryota	PMID[6090589]
NPO1135	Grevillea spp.	Species	Proteaceae	Eukaryota	TCMID*
NPO8945	Grevillea robusta	Species	Proteaceae	Eukaryota	TCMID*
NPO3854	Ruta graveolens	Species	Rutaceae	Eukaryota	TCMID*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	50000	nM	6090589

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 NPC209959 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	208
0.1-0.2	977
0.2-0.3	2001
0.3-0.4	4900
0.4-0.5	8727
0.5-0.6	2973
0.6-0.7	6539
0.7-0.8	4195
0.8-0.85	309
0.85-0.9	54
0.9-0.95	6
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9286	High Similarity	NPC247477
0.9286	High Similarity	NPC17840
0.907	High Similarity	NPC37299
0.907	High Similarity	NPC180261
0.904	High Similarity	NPC262671
0.904	High Similarity	NPC201728
0.8968	High Similarity	NPC473691
0.8952	High Similarity	NPC297193
0.8889	High Similarity	NPC477454
0.8828	High Similarity	NPC41263
0.8828	High Similarity	NPC24869
0.8797	High Similarity	NPC71256
0.8797	High Similarity	NPC194579
0.879	High Similarity	NPC165197
0.879	High Similarity	NPC159760
0.879	High Similarity	NPC179092
0.879	High Similarity	NPC35856
0.879	High Similarity	NPC26433
0.879	High Similarity	NPC178395
0.879	High Similarity	NPC301987
0.879	High Similarity	NPC222876
0.879	High Similarity	NPC244994
0.879	High Similarity	NPC272454
0.879	High Similarity	NPC115188
0.879	High Similarity	NPC292665
0.8788	High Similarity	NPC290803
0.875	High Similarity	NPC98543
0.8722	High Similarity	NPC118919
0.872	High Similarity	NPC25168
0.8712	High Similarity	NPC282780
0.8712	High Similarity	NPC474394
0.8712	High Similarity	NPC166480
0.8692	High Similarity	NPC259942
0.8657	High Similarity	NPC65837
0.8657	High Similarity	NPC474771
0.8657	High Similarity	NPC178467
0.8657	High Similarity	NPC70380
0.8657	High Similarity	NPC149372
0.8657	High Similarity	NPC474849
0.8647	High Similarity	NPC161632
0.8636	High Similarity	NPC48036
0.8629	High Similarity	NPC233165
0.8629	High Similarity	NPC184579
0.8626	High Similarity	NPC219892
0.8626	High Similarity	NPC189823
0.8615	High Similarity	NPC92624
0.8594	High Similarity	NPC240744
0.8594	High Similarity	NPC167055
0.8593	High Similarity	NPC9121
0.8593	High Similarity	NPC177307
0.8593	High Similarity	NPC191835
0.8593	High Similarity	NPC212693
0.8593	High Similarity	NPC472403
0.8593	High Similarity	NPC94248
0.8593	High Similarity	NPC475974
0.8583	High Similarity	NPC275145
0.8516	High Similarity	NPC117794
0.8507	High Similarity	NPC278375
0.8504	High Similarity	NPC244351
0.8504	High Similarity	NPC283514
0.8496	Intermediate Similarity	NPC153783
0.8492	Intermediate Similarity	NPC149246
0.8468	Intermediate Similarity	NPC160199
0.8468	Intermediate Similarity	NPC125252
0.8456	Intermediate Similarity	NPC33144
0.8456	Intermediate Similarity	NPC472602
0.8456	Intermediate Similarity	NPC478200
0.845	Intermediate Similarity	NPC472592
0.845	Intermediate Similarity	NPC10926
0.8444	Intermediate Similarity	NPC158481
0.8444	Intermediate Similarity	NPC475955
0.8444	Intermediate Similarity	NPC191976
0.8444	Intermediate Similarity	NPC474726
0.8444	Intermediate Similarity	NPC223836
0.844	Intermediate Similarity	NPC81835
0.8433	Intermediate Similarity	NPC175943
0.8429	Intermediate Similarity	NPC83272
0.8425	Intermediate Similarity	NPC198336
0.8421	Intermediate Similarity	NPC476389
0.8417	Intermediate Similarity	NPC472006
0.8417	Intermediate Similarity	NPC354984
0.8417	Intermediate Similarity	NPC51106
0.8409	Intermediate Similarity	NPC147757
0.8406	Intermediate Similarity	NPC313123
0.8406	Intermediate Similarity	NPC478217
0.8406	Intermediate Similarity	NPC53649
0.8406	Intermediate Similarity	NPC472035
0.8406	Intermediate Similarity	NPC67650
0.8406	Intermediate Similarity	NPC1704
0.8406	Intermediate Similarity	NPC290550
0.8406	Intermediate Similarity	NPC478201
0.84	Intermediate Similarity	NPC273282
0.84	Intermediate Similarity	NPC474890
0.84	Intermediate Similarity	NPC161943
0.8397	Intermediate Similarity	NPC179898
0.8394	Intermediate Similarity	NPC139634
0.8394	Intermediate Similarity	NPC138099
0.8394	Intermediate Similarity	NPC474655
0.8394	Intermediate Similarity	NPC471819
0.8394	Intermediate Similarity	NPC242994
0.8394	Intermediate Similarity	NPC472903
0.8394	Intermediate Similarity	NPC105456
0.8394	Intermediate Similarity	NPC275356
0.8387	Intermediate Similarity	NPC83718
0.8385	Intermediate Similarity	NPC8745
0.8382	Intermediate Similarity	NPC290030
0.8382	Intermediate Similarity	NPC471905
0.838	Intermediate Similarity	NPC2569
0.838	Intermediate Similarity	NPC172329
0.837	Intermediate Similarity	NPC182496
0.837	Intermediate Similarity	NPC180905
0.8369	Intermediate Similarity	NPC202112
0.8369	Intermediate Similarity	NPC51513
0.8369	Intermediate Similarity	NPC107625
0.8359	Intermediate Similarity	NPC91105
0.8359	Intermediate Similarity	NPC475192
0.8359	Intermediate Similarity	NPC225710
0.8357	Intermediate Similarity	NPC210966
0.8357	Intermediate Similarity	NPC478203
0.8357	Intermediate Similarity	NPC126882
0.8346	Intermediate Similarity	NPC146642
0.8346	Intermediate Similarity	NPC248363
0.8345	Intermediate Similarity	NPC250755
0.8345	Intermediate Similarity	NPC474961
0.8333	Intermediate Similarity	NPC169452
0.8333	Intermediate Similarity	NPC181560
0.8333	Intermediate Similarity	NPC158472
0.8333	Intermediate Similarity	NPC472600
0.8333	Intermediate Similarity	NPC472601
0.832	Intermediate Similarity	NPC121259
0.8309	Intermediate Similarity	NPC50455
0.8309	Intermediate Similarity	NPC254847
0.8309	Intermediate Similarity	NPC235115
0.8309	Intermediate Similarity	NPC156892
0.8308	Intermediate Similarity	NPC475733
0.8298	Intermediate Similarity	NPC257558
0.8298	Intermediate Similarity	NPC29577
0.8296	Intermediate Similarity	NPC44437
0.8296	Intermediate Similarity	NPC204582
0.8295	Intermediate Similarity	NPC65761
0.8295	Intermediate Similarity	NPC472029
0.8295	Intermediate Similarity	NPC174991
0.8295	Intermediate Similarity	NPC477153
0.8293	Intermediate Similarity	NPC62546
0.8293	Intermediate Similarity	NPC162113
0.8286	Intermediate Similarity	NPC159721
0.8286	Intermediate Similarity	NPC471731
0.8286	Intermediate Similarity	NPC478202
0.8284	Intermediate Similarity	NPC478190
0.8281	Intermediate Similarity	NPC196976
0.8281	Intermediate Similarity	NPC215392
0.8273	Intermediate Similarity	NPC158634
0.8273	Intermediate Similarity	NPC472605
0.8273	Intermediate Similarity	NPC90411
0.8273	Intermediate Similarity	NPC472603
0.8273	Intermediate Similarity	NPC472904
0.8273	Intermediate Similarity	NPC244923
0.8273	Intermediate Similarity	NPC472604
0.8273	Intermediate Similarity	NPC187843
0.8273	Intermediate Similarity	NPC475730
0.8271	Intermediate Similarity	NPC62219
0.8268	Intermediate Similarity	NPC159525
0.8268	Intermediate Similarity	NPC294037
0.8264	Intermediate Similarity	NPC56204
0.8261	Intermediate Similarity	NPC32360
0.8261	Intermediate Similarity	NPC143438
0.8261	Intermediate Similarity	NPC52358
0.8261	Intermediate Similarity	NPC162939
0.8261	Intermediate Similarity	NPC92655
0.8258	Intermediate Similarity	NPC95537
0.8258	Intermediate Similarity	NPC229894
0.8254	Intermediate Similarity	NPC40649
0.8254	Intermediate Similarity	NPC209486
0.8254	Intermediate Similarity	NPC241089
0.8248	Intermediate Similarity	NPC53206
0.8248	Intermediate Similarity	NPC53414
0.8248	Intermediate Similarity	NPC135837
0.824	Intermediate Similarity	NPC477453
0.8239	Intermediate Similarity	NPC237208
0.8239	Intermediate Similarity	NPC472033
0.8239	Intermediate Similarity	NPC473023
0.8235	Intermediate Similarity	NPC18646
0.8231	Intermediate Similarity	NPC13238
0.8231	Intermediate Similarity	NPC145134
0.8227	Intermediate Similarity	NPC42540
0.8227	Intermediate Similarity	NPC151607
0.8226	Intermediate Similarity	NPC114918
0.8222	Intermediate Similarity	NPC267205
0.8222	Intermediate Similarity	NPC472591
0.8217	Intermediate Similarity	NPC46634
0.8217	Intermediate Similarity	NPC309765
0.8214	Intermediate Similarity	NPC322112
0.8214	Intermediate Similarity	NPC49108
0.8214	Intermediate Similarity	NPC471733
0.8214	Intermediate Similarity	NPC135524
0.8214	Intermediate Similarity	NPC474385
0.8214	Intermediate Similarity	NPC193555
0.8214	Intermediate Similarity	NPC137649
0.8209	Intermediate Similarity	NPC198249
0.8209	Intermediate Similarity	NPC7012

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC209959 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	235
0.1-0.2	825
0.2-0.3	1490
0.3-0.4	2478
0.4-0.5	2308
0.5-0.6	1193
0.6-0.7	515
0.7-0.8	102
0.8-0.85	15
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	NPD9269	Phase 2
0.8333	Intermediate Similarity	NPD9268	Approved
0.8309	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.8175	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8116	Intermediate Similarity	NPD5406	Approved
0.8116	Intermediate Similarity	NPD5405	Approved
0.8116	Intermediate Similarity	NPD5404	Approved
0.8116	Intermediate Similarity	NPD5408	Approved
0.8088	Intermediate Similarity	NPD230	Phase 1
0.8042	Intermediate Similarity	NPD2533	Approved
0.8042	Intermediate Similarity	NPD2532	Approved
0.8042	Intermediate Similarity	NPD2534	Approved
0.8015	Intermediate Similarity	NPD943	Approved
0.8014	Intermediate Similarity	NPD3750	Approved
0.7972	Intermediate Similarity	NPD7390	Discontinued
0.7895	Intermediate Similarity	NPD1470	Approved
0.7868	Intermediate Similarity	NPD3764	Approved
0.7857	Intermediate Similarity	NPD2935	Discontinued
0.7812	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7762	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7761	Intermediate Similarity	NPD1164	Approved
0.7742	Intermediate Similarity	NPD9266	Approved
0.7742	Intermediate Similarity	NPD74	Approved
0.7733	Intermediate Similarity	NPD7819	Suspended
0.7727	Intermediate Similarity	NPD1201	Approved
0.7686	Intermediate Similarity	NPD846	Approved
0.7686	Intermediate Similarity	NPD940	Approved
0.768	Intermediate Similarity	NPD4750	Phase 3
0.7674	Intermediate Similarity	NPD9493	Approved
0.7661	Intermediate Similarity	NPD9264	Approved
0.7661	Intermediate Similarity	NPD9263	Approved
0.7661	Intermediate Similarity	NPD9267	Approved
0.766	Intermediate Similarity	NPD3748	Approved
0.7634	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD6232	Discontinued
0.758	Intermediate Similarity	NPD7473	Discontinued
0.7557	Intermediate Similarity	NPD9545	Approved
0.7517	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1240	Approved
0.75	Intermediate Similarity	NPD1465	Phase 2
0.7413	Intermediate Similarity	NPD1510	Phase 2
0.7403	Intermediate Similarity	NPD7768	Phase 2
0.7394	Intermediate Similarity	NPD1607	Approved
0.7385	Intermediate Similarity	NPD9281	Approved
0.7357	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD3749	Approved
0.7339	Intermediate Similarity	NPD9261	Approved
0.7324	Intermediate Similarity	NPD447	Suspended
0.7323	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7313	Intermediate Similarity	NPD4626	Approved
0.7313	Intermediate Similarity	NPD2932	Approved
0.7313	Intermediate Similarity	NPD3019	Approved
0.731	Intermediate Similarity	NPD2346	Discontinued
0.7292	Intermediate Similarity	NPD2799	Discontinued
0.7279	Intermediate Similarity	NPD9717	Approved
0.7278	Intermediate Similarity	NPD5710	Approved
0.7278	Intermediate Similarity	NPD5711	Approved
0.7267	Intermediate Similarity	NPD5844	Phase 1
0.7244	Intermediate Similarity	NPD7075	Discontinued
0.7241	Intermediate Similarity	NPD6099	Approved
0.7241	Intermediate Similarity	NPD1551	Phase 2
0.7241	Intermediate Similarity	NPD6100	Approved
0.7237	Intermediate Similarity	NPD3226	Approved
0.7211	Intermediate Similarity	NPD2800	Approved
0.7208	Intermediate Similarity	NPD37	Approved
0.7206	Intermediate Similarity	NPD422	Phase 1
0.7183	Intermediate Similarity	NPD6663	Approved
0.7177	Intermediate Similarity	NPD1242	Phase 1
0.7172	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD7003	Approved
0.7161	Intermediate Similarity	NPD2801	Approved
0.7161	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD7411	Suspended
0.7143	Intermediate Similarity	NPD1549	Phase 2
0.7143	Intermediate Similarity	NPD5736	Approved
0.7133	Intermediate Similarity	NPD1511	Approved
0.7133	Intermediate Similarity	NPD6799	Approved
0.7122	Intermediate Similarity	NPD1203	Approved
0.7122	Intermediate Similarity	NPD2797	Approved
0.7121	Intermediate Similarity	NPD5951	Approved
0.7115	Intermediate Similarity	NPD4288	Approved
0.7113	Intermediate Similarity	NPD411	Approved
0.7107	Intermediate Similarity	NPD6959	Discontinued
0.7097	Intermediate Similarity	NPD1934	Approved
0.7095	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6234	Discontinued
0.7086	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD6599	Discontinued
0.7078	Intermediate Similarity	NPD4380	Phase 2
0.7075	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7075	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.707	Intermediate Similarity	NPD3882	Suspended
0.707	Intermediate Similarity	NPD4966	Approved
0.707	Intermediate Similarity	NPD4967	Phase 2
0.707	Intermediate Similarity	NPD4965	Approved
0.7055	Intermediate Similarity	NPD4308	Phase 3
0.7054	Intermediate Similarity	NPD2182	Approved
0.705	Intermediate Similarity	NPD1283	Approved
0.7047	Intermediate Similarity	NPD4628	Phase 3
0.7047	Intermediate Similarity	NPD8166	Discontinued
0.704	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD1512	Approved
0.7037	Intermediate Similarity	NPD1759	Phase 1
0.7034	Intermediate Similarity	NPD6651	Approved
0.7013	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7008	Intermediate Similarity	NPD164	Approved
0.7007	Intermediate Similarity	NPD2796	Approved
0.7006	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD5402	Approved
0.7006	Intermediate Similarity	NPD3817	Phase 2
0.7	Intermediate Similarity	NPD6190	Approved
0.6993	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD3268	Approved
0.6993	Remote Similarity	NPD2313	Discontinued
0.6992	Remote Similarity	NPD844	Approved
0.6985	Remote Similarity	NPD5691	Approved
0.698	Remote Similarity	NPD1243	Approved
0.6975	Remote Similarity	NPD7852	Clinical (unspecified phase)
0.6972	Remote Similarity	NPD6832	Phase 2
0.697	Remote Similarity	NPD7635	Approved
0.697	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD1758	Phase 1
0.696	Remote Similarity	NPD3020	Approved
0.6957	Remote Similarity	NPD7229	Phase 3
0.6954	Remote Similarity	NPD3300	Phase 2
0.695	Remote Similarity	NPD2798	Approved
0.6947	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.694	Remote Similarity	NPD256	Approved
0.694	Remote Similarity	NPD255	Approved
0.6935	Remote Similarity	NPD288	Approved
0.6918	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6906	Remote Similarity	NPD1608	Approved
0.689	Remote Similarity	NPD7228	Approved
0.689	Remote Similarity	NPD3818	Discontinued
0.6884	Remote Similarity	NPD3023	Approved
0.6884	Remote Similarity	NPD3026	Approved
0.6883	Remote Similarity	NPD920	Approved
0.6879	Remote Similarity	NPD6801	Discontinued
0.6875	Remote Similarity	NPD1296	Phase 2
0.687	Remote Similarity	NPD3022	Approved
0.687	Remote Similarity	NPD3021	Approved
0.6861	Remote Similarity	NPD3024	Approved
0.6861	Remote Similarity	NPD3025	Approved
0.686	Remote Similarity	NPD9258	Approved
0.686	Remote Similarity	NPD9256	Approved
0.6857	Remote Similarity	NPD4749	Approved
0.6855	Remote Similarity	NPD2860	Approved
0.6855	Remote Similarity	NPD1809	Phase 2
0.6855	Remote Similarity	NPD2859	Approved
0.6849	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.6848	Remote Similarity	NPD7286	Phase 2
0.6846	Remote Similarity	NPD2344	Approved
0.6835	Remote Similarity	NPD1281	Approved
0.6831	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD257	Approved
0.6831	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD258	Approved
0.6828	Remote Similarity	NPD520	Approved
0.6826	Remote Similarity	NPD6559	Discontinued
0.6826	Remote Similarity	NPD3658	Clinical (unspecified phase)
0.6821	Remote Similarity	NPD3400	Discontinued
0.6818	Remote Similarity	NPD6273	Approved
0.6815	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6812	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD1876	Approved
0.6807	Remote Similarity	NPD7074	Phase 3
0.6806	Remote Similarity	NPD4625	Phase 3
0.6797	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD1930	Approved
0.6797	Remote Similarity	NPD1929	Approved
0.6795	Remote Similarity	NPD7458	Discontinued
0.6792	Remote Similarity	NPD5353	Approved
0.6792	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6783	Remote Similarity	NPD9494	Approved
0.6781	Remote Similarity	NPD4307	Phase 2
0.6781	Remote Similarity	NPD2979	Phase 3
0.6781	Remote Similarity	NPD4060	Phase 1
0.6774	Remote Similarity	NPD2933	Approved
0.6774	Remote Similarity	NPD2934	Approved
0.6774	Remote Similarity	NPD5403	Approved
0.6768	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6768	Remote Similarity	NPD6166	Phase 2
0.6766	Remote Similarity	NPD5953	Discontinued
0.6763	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6763	Remote Similarity	NPD3496	Discontinued
0.6753	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD7054	Approved
0.6736	Remote Similarity	NPD4908	Phase 1
0.6735	Remote Similarity	NPD6355	Discontinued
0.6733	Remote Similarity	NPD7266	Discontinued
0.6733	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD5494	Approved

Structure

CID209959 OpenBabel06191716002D 24 24 0 0 0 0 0 0 0 0999 V2000 11.2583 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2583 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -0.0000 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 -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 3.4641 -0.0000 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 1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -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 -0.8660 -1.5000 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 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 -1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 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 2.5981 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	14462118
ChEMBL	CHEMBL520177
ZINC

Physicochemical Properties

Molecular Weight:	336.23
ALogP:	-4.2147
MLogP:	3.22
XLogP:	7.047
# Rotatable Bonds:	17
Polar Surface Area:	77.76
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	1
# Heavy Atoms:	24

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