NPASS Natural Product

Natural Product: NPC472298

Natural Product ID:	NPC472298
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C22H26O5
Standard InCHIKey:	INTWVMASYRXTLY-WIYYLYMNSA-N
Standard InCHI:	InChI=1S/C22H26O5/c1-13-14-6-7-18-21(2,16(14)12-17-15(13)8-11-27-17)9-5-10-22(18,19(23)25-3)20(24)26-4/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,21-/m1/s1
Canonical SMILES:	COC(=O)C1(CCC[C@]2([C@H]1CCc1c2cc2c(c1C)cco2)C)C(=O)OC
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
NPO32931	pterolobium macropterum	Species	Fabaceae	Eukaryota	Root barks			PMID[25337628]

Biological Activity

Activity Type	# Activity
IC50	4

Activity Type	# Activity
Cell Line	1
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	65680	nM	10.6019/CHEMBL3392926
NPT2	Others	Unspecified		IC50	=	80200	nM	25375978
NPT2	Others	Unspecified		IC50	=	83600	nM	12502328
NPT2	Others	Unspecified		IC50	=	44160	nM	26854381

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 NPC472298 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	283
0.1-0.2	1282
0.2-0.3	2103
0.3-0.4	5294
0.4-0.5	7822
0.5-0.6	3613
0.6-0.7	6378
0.7-0.8	3953
0.8-0.85	139
0.85-0.9	16
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9648	High Similarity	NPC290038
0.9517	High Similarity	NPC95526
0.9262	High Similarity	NPC44606
0.902	High Similarity	NPC123153
0.9007	High Similarity	NPC10429
0.9	High Similarity	NPC144010
0.8961	High Similarity	NPC472299
0.8828	High Similarity	NPC233707
0.8819	High Similarity	NPC307401
0.8811	High Similarity	NPC209858
0.8811	High Similarity	NPC324117
0.8792	High Similarity	NPC233763
0.8734	High Similarity	NPC308156
0.8733	High Similarity	NPC281398
0.8699	High Similarity	NPC202260
0.8688	High Similarity	NPC472660
0.8636	High Similarity	NPC24232
0.8625	High Similarity	NPC255787
0.8625	High Similarity	NPC291742
0.8581	High Similarity	NPC179170
0.8571	High Similarity	NPC145830
0.8562	High Similarity	NPC41689
0.8497	Intermediate Similarity	NPC192069
0.8485	Intermediate Similarity	NPC472661
0.8477	Intermediate Similarity	NPC93241
0.8477	Intermediate Similarity	NPC27798
0.8471	Intermediate Similarity	NPC221992
0.8421	Intermediate Similarity	NPC478166
0.8411	Intermediate Similarity	NPC158871
0.8411	Intermediate Similarity	NPC117674
0.8366	Intermediate Similarity	NPC71821
0.8365	Intermediate Similarity	NPC477692
0.8355	Intermediate Similarity	NPC114513
0.8355	Intermediate Similarity	NPC245522
0.8354	Intermediate Similarity	NPC81405
0.8345	Intermediate Similarity	NPC164295
0.8344	Intermediate Similarity	NPC88958
0.8343	Intermediate Similarity	NPC472663
0.8343	Intermediate Similarity	NPC472662
0.8323	Intermediate Similarity	NPC212257
0.8312	Intermediate Similarity	NPC478163
0.8302	Intermediate Similarity	NPC158542
0.8302	Intermediate Similarity	NPC140952
0.8288	Intermediate Similarity	NPC183103
0.8278	Intermediate Similarity	NPC149780
0.8269	Intermediate Similarity	NPC474660
0.8267	Intermediate Similarity	NPC476191
0.8264	Intermediate Similarity	NPC59502
0.8263	Intermediate Similarity	NPC295914
0.8258	Intermediate Similarity	NPC266743
0.8255	Intermediate Similarity	NPC471542
0.8247	Intermediate Similarity	NPC224418
0.8247	Intermediate Similarity	NPC473927
0.8232	Intermediate Similarity	NPC473945
0.8228	Intermediate Similarity	NPC25351
0.8219	Intermediate Similarity	NPC470976
0.8219	Intermediate Similarity	NPC239134
0.8219	Intermediate Similarity	NPC470977
0.8219	Intermediate Similarity	NPC196979
0.8219	Intermediate Similarity	NPC279596
0.821	Intermediate Similarity	NPC276735
0.8205	Intermediate Similarity	NPC228842
0.82	Intermediate Similarity	NPC474722
0.8187	Intermediate Similarity	NPC299094
0.8187	Intermediate Similarity	NPC474611
0.8187	Intermediate Similarity	NPC10051
0.8182	Intermediate Similarity	NPC62799
0.8176	Intermediate Similarity	NPC478159
0.8176	Intermediate Similarity	NPC478161
0.8176	Intermediate Similarity	NPC3898
0.8171	Intermediate Similarity	NPC298071
0.8165	Intermediate Similarity	NPC477690
0.8163	Intermediate Similarity	NPC293253
0.816	Intermediate Similarity	NPC132054
0.8158	Intermediate Similarity	NPC263337
0.8153	Intermediate Similarity	NPC191104
0.8153	Intermediate Similarity	NPC473466
0.8151	Intermediate Similarity	NPC282230
0.8151	Intermediate Similarity	NPC183348
0.8148	Intermediate Similarity	NPC24761
0.8138	Intermediate Similarity	NPC198904
0.8137	Intermediate Similarity	NPC4950
0.8137	Intermediate Similarity	NPC239118
0.8137	Intermediate Similarity	NPC8389
0.8137	Intermediate Similarity	NPC218818
0.8133	Intermediate Similarity	NPC476943
0.8129	Intermediate Similarity	NPC286038
0.8125	Intermediate Similarity	NPC7059
0.8117	Intermediate Similarity	NPC56731
0.8117	Intermediate Similarity	NPC189650
0.8113	Intermediate Similarity	NPC477691
0.811	Intermediate Similarity	NPC279768
0.8101	Intermediate Similarity	NPC294511
0.8101	Intermediate Similarity	NPC121615
0.8098	Intermediate Similarity	NPC56358
0.8095	Intermediate Similarity	NPC15083
0.8092	Intermediate Similarity	NPC472523
0.8089	Intermediate Similarity	NPC88445
0.8086	Intermediate Similarity	NPC79571
0.8086	Intermediate Similarity	NPC188649
0.8086	Intermediate Similarity	NPC18986
0.8082	Intermediate Similarity	NPC57552
0.8082	Intermediate Similarity	NPC170546
0.8082	Intermediate Similarity	NPC66246
0.8077	Intermediate Similarity	NPC113428
0.8077	Intermediate Similarity	NPC61284
0.8077	Intermediate Similarity	NPC66991
0.8077	Intermediate Similarity	NPC19747
0.8077	Intermediate Similarity	NPC304443
0.8077	Intermediate Similarity	NPC74539
0.8075	Intermediate Similarity	NPC96342
0.8075	Intermediate Similarity	NPC272196
0.8075	Intermediate Similarity	NPC212967
0.8075	Intermediate Similarity	NPC270044
0.8075	Intermediate Similarity	NPC164110
0.8075	Intermediate Similarity	NPC67197
0.8075	Intermediate Similarity	NPC246647
0.8067	Intermediate Similarity	NPC42400
0.8065	Intermediate Similarity	NPC49282
0.8063	Intermediate Similarity	NPC41880
0.8063	Intermediate Similarity	NPC104736
0.8061	Intermediate Similarity	NPC125465
0.8061	Intermediate Similarity	NPC296558
0.8054	Intermediate Similarity	NPC1249
0.8052	Intermediate Similarity	NPC472840
0.805	Intermediate Similarity	NPC130015
0.805	Intermediate Similarity	NPC38361
0.8049	Intermediate Similarity	NPC100849
0.8042	Intermediate Similarity	NPC178382
0.8041	Intermediate Similarity	NPC470740
0.8038	Intermediate Similarity	NPC472406
0.8038	Intermediate Similarity	NPC13282
0.8037	Intermediate Similarity	NPC475039
0.8037	Intermediate Similarity	NPC88841
0.8037	Intermediate Similarity	NPC14499
0.8037	Intermediate Similarity	NPC476035
0.8037	Intermediate Similarity	NPC288602
0.8026	Intermediate Similarity	NPC56197
0.8025	Intermediate Similarity	NPC211625
0.8025	Intermediate Similarity	NPC127827
0.8025	Intermediate Similarity	NPC287559
0.8013	Intermediate Similarity	NPC308799
0.8013	Intermediate Similarity	NPC211565
0.8013	Intermediate Similarity	NPC186647
0.8013	Intermediate Similarity	NPC236532
0.8013	Intermediate Similarity	NPC60389
0.8012	Intermediate Similarity	NPC195954
0.8012	Intermediate Similarity	NPC302392
0.8012	Intermediate Similarity	NPC88007
0.8012	Intermediate Similarity	NPC474360
0.8012	Intermediate Similarity	NPC180924
0.8012	Intermediate Similarity	NPC304692
0.8012	Intermediate Similarity	NPC194499
0.8	Intermediate Similarity	NPC217914
0.8	Intermediate Similarity	NPC270312
0.8	Intermediate Similarity	NPC474737
0.8	Intermediate Similarity	NPC260152
0.8	Intermediate Similarity	NPC136641
0.8	Intermediate Similarity	NPC146872
0.8	Intermediate Similarity	NPC23559
0.8	Intermediate Similarity	NPC474264
0.7988	Intermediate Similarity	NPC472664
0.7988	Intermediate Similarity	NPC473022
0.7987	Intermediate Similarity	NPC470406
0.7987	Intermediate Similarity	NPC149526
0.7987	Intermediate Similarity	NPC474417
0.7987	Intermediate Similarity	NPC470273
0.7986	Intermediate Similarity	NPC56332
0.7986	Intermediate Similarity	NPC179354
0.7986	Intermediate Similarity	NPC75432
0.7975	Intermediate Similarity	NPC471003
0.7975	Intermediate Similarity	NPC78944
0.7975	Intermediate Similarity	NPC474305
0.7975	Intermediate Similarity	NPC261322
0.7975	Intermediate Similarity	NPC65784
0.7973	Intermediate Similarity	NPC301717
0.7972	Intermediate Similarity	NPC16922
0.7964	Intermediate Similarity	NPC294512
0.7962	Intermediate Similarity	NPC150215
0.7962	Intermediate Similarity	NPC93666
0.795	Intermediate Similarity	NPC89625
0.795	Intermediate Similarity	NPC233776
0.795	Intermediate Similarity	NPC148938
0.795	Intermediate Similarity	NPC149618
0.7949	Intermediate Similarity	NPC208584
0.7949	Intermediate Similarity	NPC478019
0.7949	Intermediate Similarity	NPC262198
0.7947	Intermediate Similarity	NPC471670
0.7947	Intermediate Similarity	NPC470742
0.7947	Intermediate Similarity	NPC310830
0.7945	Intermediate Similarity	NPC428300
0.7939	Intermediate Similarity	NPC121995
0.7939	Intermediate Similarity	NPC277618
0.7937	Intermediate Similarity	NPC87708
0.7937	Intermediate Similarity	NPC27615
0.7937	Intermediate Similarity	NPC40356
0.7937	Intermediate Similarity	NPC154683
0.7935	Intermediate Similarity	NPC142113
0.7935	Intermediate Similarity	NPC166858
0.7935	Intermediate Similarity	NPC167663

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC472298 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	287
0.1-0.2	987
0.2-0.3	1295
0.3-0.4	2388
0.4-0.5	2243
0.5-0.6	1265
0.6-0.7	544
0.7-0.8	143
0.8-0.85	9
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.82	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.82	Intermediate Similarity	NPD2346	Discontinued
0.8158	Intermediate Similarity	NPD7003	Approved
0.8129	Intermediate Similarity	NPD6273	Approved
0.8089	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD920	Approved
0.8067	Intermediate Similarity	NPD2799	Discontinued
0.8063	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD7819	Suspended
0.7973	Intermediate Similarity	NPD8032	Phase 2
0.7935	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD2979	Phase 3
0.7902	Intermediate Similarity	NPD1281	Approved
0.7862	Intermediate Similarity	NPD3226	Approved
0.7843	Intermediate Similarity	NPD1471	Phase 3
0.7834	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD6559	Discontinued
0.7805	Intermediate Similarity	NPD919	Approved
0.7778	Intermediate Similarity	NPD2438	Suspended
0.7778	Intermediate Similarity	NPD2935	Discontinued
0.777	Intermediate Similarity	NPD6832	Phase 2
0.775	Intermediate Similarity	NPD7458	Discontinued
0.7742	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7742	Intermediate Similarity	NPD1243	Approved
0.774	Intermediate Similarity	NPD1283	Approved
0.7727	Intermediate Similarity	NPD2344	Approved
0.7724	Intermediate Similarity	NPD3972	Approved
0.7712	Intermediate Similarity	NPD3748	Approved
0.7702	Intermediate Similarity	NPD6599	Discontinued
0.7692	Intermediate Similarity	NPD1651	Approved
0.7692	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD5691	Approved
0.7667	Intermediate Similarity	NPD2313	Discontinued
0.7662	Intermediate Similarity	NPD2531	Phase 2
0.7636	Intermediate Similarity	NPD3749	Approved
0.7632	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD1876	Approved
0.761	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD6959	Discontinued
0.758	Intermediate Similarity	NPD4628	Phase 3
0.7576	Intermediate Similarity	NPD7768	Phase 2
0.7566	Intermediate Similarity	NPD4307	Phase 2
0.756	Intermediate Similarity	NPD6808	Phase 2
0.7548	Intermediate Similarity	NPD2796	Approved
0.7546	Intermediate Similarity	NPD7411	Suspended
0.7545	Intermediate Similarity	NPD5494	Approved
0.7544	Intermediate Similarity	NPD5844	Phase 1
0.7534	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD2309	Approved
0.7529	Intermediate Similarity	NPD7473	Discontinued
0.7517	Intermediate Similarity	NPD2798	Approved
0.75	Intermediate Similarity	NPD2532	Approved
0.75	Intermediate Similarity	NPD2534	Approved
0.75	Intermediate Similarity	NPD8434	Phase 2
0.75	Intermediate Similarity	NPD2533	Approved
0.7485	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD3750	Approved
0.7456	Intermediate Similarity	NPD6232	Discontinued
0.7455	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD4140	Approved
0.745	Intermediate Similarity	NPD3267	Approved
0.745	Intermediate Similarity	NPD3266	Approved
0.7436	Intermediate Similarity	NPD1551	Phase 2
0.7436	Intermediate Similarity	NPD5406	Approved
0.7436	Intermediate Similarity	NPD5405	Approved
0.7436	Intermediate Similarity	NPD5408	Approved
0.7436	Intermediate Similarity	NPD5404	Approved
0.7415	Intermediate Similarity	NPD1611	Approved
0.7397	Intermediate Similarity	NPD4626	Approved
0.7397	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD1247	Approved
0.7394	Intermediate Similarity	NPD6801	Discontinued
0.7394	Intermediate Similarity	NPD6280	Approved
0.7394	Intermediate Similarity	NPD6279	Approved
0.7372	Intermediate Similarity	NPD4308	Phase 3
0.7368	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD5761	Phase 2
0.7349	Intermediate Similarity	NPD5760	Phase 2
0.7338	Intermediate Similarity	NPD4060	Phase 1
0.7333	Intermediate Similarity	NPD2797	Approved
0.733	Intermediate Similarity	NPD8313	Approved
0.733	Intermediate Similarity	NPD8312	Approved
0.7329	Intermediate Similarity	NPD5585	Approved
0.7329	Intermediate Similarity	NPD6799	Approved
0.7325	Intermediate Similarity	NPD4477	Approved
0.7325	Intermediate Similarity	NPD4476	Approved
0.7321	Intermediate Similarity	NPD7075	Discontinued
0.732	Intermediate Similarity	NPD3268	Approved
0.732	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7315	Intermediate Similarity	NPD5327	Phase 3
0.731	Intermediate Similarity	NPD3926	Phase 2
0.7305	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD1933	Approved
0.729	Intermediate Similarity	NPD6355	Discontinued
0.7284	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD7177	Discontinued
0.7251	Intermediate Similarity	NPD7229	Phase 3
0.7246	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7219	Intermediate Similarity	NPD1203	Approved
0.7208	Intermediate Similarity	NPD6798	Discontinued
0.7208	Intermediate Similarity	NPD3764	Approved
0.7208	Intermediate Similarity	NPD411	Approved
0.7202	Intermediate Similarity	NPD3817	Phase 2
0.7195	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7193	Intermediate Similarity	NPD8127	Discontinued
0.7188	Intermediate Similarity	NPD2800	Approved
0.7178	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD1019	Discontinued
0.7162	Intermediate Similarity	NPD17	Approved
0.7153	Intermediate Similarity	NPD1241	Discontinued
0.7143	Intermediate Similarity	NPD4110	Phase 3
0.7143	Intermediate Similarity	NPD7095	Approved
0.7143	Intermediate Similarity	NPD8166	Discontinued
0.7143	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD9717	Approved
0.7127	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD5890	Approved
0.7126	Intermediate Similarity	NPD5889	Approved
0.7125	Intermediate Similarity	NPD1549	Phase 2
0.7119	Intermediate Similarity	NPD6764	Approved
0.7119	Intermediate Similarity	NPD6765	Approved
0.7102	Intermediate Similarity	NPD5441	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD3024	Approved
0.7095	Intermediate Similarity	NPD3025	Approved
0.7091	Intermediate Similarity	NPD7427	Discontinued
0.7086	Intermediate Similarity	NPD4359	Approved
0.7083	Intermediate Similarity	NPD5535	Approved
0.7073	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD7693	Approved
0.7063	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7063	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3882	Suspended
0.7059	Intermediate Similarity	NPD4947	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD6663	Approved
0.7047	Intermediate Similarity	NPD1778	Approved
0.7044	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7044	Intermediate Similarity	NPD1510	Phase 2
0.7032	Intermediate Similarity	NPD7008	Discontinued
0.7025	Intermediate Similarity	NPD1607	Approved
0.7024	Intermediate Similarity	NPD6873	Phase 2
0.702	Intermediate Similarity	NPD1608	Approved
0.7019	Intermediate Similarity	NPD2897	Discontinued
0.7013	Intermediate Similarity	NPD5736	Approved
0.7	Intermediate Similarity	NPD3023	Approved
0.7	Intermediate Similarity	NPD2296	Approved
0.7	Intermediate Similarity	NPD6099	Approved
0.7	Intermediate Similarity	NPD3026	Approved
0.7	Intermediate Similarity	NPD6100	Approved
0.7	Intermediate Similarity	NPD5402	Approved
0.6994	Remote Similarity	NPD7199	Phase 2
0.6994	Remote Similarity	NPD3887	Approved
0.6993	Remote Similarity	NPD1470	Approved
0.6988	Remote Similarity	NPD5403	Approved
0.6987	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD37	Approved
0.6982	Remote Similarity	NPD1934	Approved
0.697	Remote Similarity	NPD5401	Approved
0.6968	Remote Similarity	NPD4107	Approved
0.6964	Remote Similarity	NPD4380	Phase 2
0.6964	Remote Similarity	NPD6585	Discontinued
0.6962	Remote Similarity	NPD447	Suspended
0.6962	Remote Similarity	NPD4618	Approved
0.6962	Remote Similarity	NPD4622	Approved
0.6961	Remote Similarity	NPD6785	Approved
0.6961	Remote Similarity	NPD6784	Approved
0.6959	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD4966	Approved
0.6959	Remote Similarity	NPD4965	Approved
0.6959	Remote Similarity	NPD4967	Phase 2
0.6957	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6954	Remote Similarity	NPD5711	Approved
0.6954	Remote Similarity	NPD5710	Approved
0.6954	Remote Similarity	NPD1201	Approved
0.6943	Remote Similarity	NPD6233	Phase 2
0.6937	Remote Similarity	NPD7033	Discontinued
0.6936	Remote Similarity	NPD710	Clinical (unspecified phase)
0.6933	Remote Similarity	NPD3019	Approved
0.6928	Remote Similarity	NPD5049	Phase 3
0.6918	Remote Similarity	NPD4097	Suspended
0.6914	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6909	Remote Similarity	NPD7390	Discontinued
0.6899	Remote Similarity	NPD1240	Approved
0.6893	Remote Similarity	NPD3818	Discontinued
0.689	Remote Similarity	NPD3295	Clinical (unspecified phase)
0.6887	Remote Similarity	NPD3496	Discontinued
0.6886	Remote Similarity	NPD3873	Phase 3
0.6886	Remote Similarity	NPD3869	Phase 3
0.6883	Remote Similarity	NPD1164	Approved
0.6879	Remote Similarity	NPD6812	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD6234	Discontinued
0.6875	Remote Similarity	NPD5688	Approved
0.6875	Remote Similarity	NPD5689	Approved
0.6871	Remote Similarity	NPD5951	Approved
0.6864	Remote Similarity	NPD7028	Phase 2
0.6855	Remote Similarity	NPD5735	Approved
0.6852	Remote Similarity	NPD6005	Phase 3

Structure

NPC472298 OpenBabel07101718202D 27 30 0 0 1 0 0 0 0 0999 V2000 3.3524 -2.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 -3.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4194 0.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 -1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6796 -0.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -1.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 -0.4839 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9677 -1.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 0.0000 0.0000 C 0 0 1 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 -1.9355 -1.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -0.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4839 -2.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 0.8381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 21 1 0 0 0 0 17 27 1 0 0 0 0 18 21 1 1 0 0 0 18 22 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 2 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL3358066
ZINC

Physicochemical Properties

Molecular Weight:	370.18
ALogP:	0.4366
MLogP:	3.33
XLogP:	5.473
# Rotatable Bonds:	8
Polar Surface Area:	65.74
# H-Bond Aceptor:	4
# H-Bond Donor:	0
# Rings:	4
# Heavy Atoms:	27

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