NPASS Natural Product

Natural Product: NPC151617

Natural Product ID:	NPC151617
Common Name:	Triphloroethol A
IUPAC Name:	2-[2-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]benzene-1,3,5-triol
Synonyms:
Molecular Formula:	C18H14O9
Standard InCHIKey:	OXFVHFABBAINFL-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H14O9/c19-8-1-9(20)3-12(2-8)26-18-15(25)6-11(22)7-16(18)27-17-13(23)4-10(21)5-14(17)24/h1-7,19-25H
Canonical SMILES:	Oc1cc(Oc2c(O)cc(cc2O)O)c(c(c1)O)Oc1cc(O)cc(c1)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
NPO27567	Eisenia bicyclis	Species	Lessoniaceae	Eukaryota				PMID[20462757]

Biological Activity

Activity Type	# Activity
IC50	1
Ki	1

Activity Type	# Activity
Individual Protein	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Ki	=	12100	nM	24144848
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	IC50	=	11680	nM	10.6019/CHEMBL1201861

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 NPC151617 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	296
0.1-0.2	1922
0.2-0.3	7642
0.3-0.4	7070
0.4-0.5	2725
0.5-0.6	4526
0.6-0.7	5306
0.7-0.8	1343
0.8-0.85	48
0.85-0.9	4
0.9-0.95	4
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC76915
0.982	High Similarity	NPC214289
0.9646	High Similarity	NPC205850
0.9478	High Similarity	NPC126216
0.9478	High Similarity	NPC228875
0.9478	High Similarity	NPC105147
0.916	High Similarity	NPC110677
0.8649	High Similarity	NPC232654
0.8571	High Similarity	NPC124712
0.8537	High Similarity	NPC469622
0.8537	High Similarity	NPC189589
0.8468	Intermediate Similarity	NPC37074
0.8443	Intermediate Similarity	NPC192810
0.8393	Intermediate Similarity	NPC307875
0.8387	Intermediate Similarity	NPC298845
0.8385	Intermediate Similarity	NPC48956
0.8374	Intermediate Similarity	NPC221090
0.8361	Intermediate Similarity	NPC152722
0.832	Intermediate Similarity	NPC216836
0.832	Intermediate Similarity	NPC469621
0.8293	Intermediate Similarity	NPC217854
0.8279	Intermediate Similarity	NPC145780
0.8268	Intermediate Similarity	NPC208769
0.8268	Intermediate Similarity	NPC214860
0.8254	Intermediate Similarity	NPC247146
0.8226	Intermediate Similarity	NPC25817
0.8203	Intermediate Similarity	NPC287780
0.8197	Intermediate Similarity	NPC276195
0.8189	Intermediate Similarity	NPC45824
0.8154	Intermediate Similarity	NPC310854
0.814	Intermediate Similarity	NPC474134
0.814	Intermediate Similarity	NPC161203
0.814	Intermediate Similarity	NPC131128
0.8125	Intermediate Similarity	NPC60756
0.8095	Intermediate Similarity	NPC181361
0.808	Intermediate Similarity	NPC122792
0.808	Intermediate Similarity	NPC228972
0.8077	Intermediate Similarity	NPC94236
0.8077	Intermediate Similarity	NPC60982
0.8077	Intermediate Similarity	NPC37196
0.806	Intermediate Similarity	NPC8577
0.8045	Intermediate Similarity	NPC22517
0.8031	Intermediate Similarity	NPC210355
0.8031	Intermediate Similarity	NPC470699
0.8031	Intermediate Similarity	NPC50368
0.8031	Intermediate Similarity	NPC5447
0.8031	Intermediate Similarity	NPC250432
0.8015	Intermediate Similarity	NPC106215
0.8015	Intermediate Similarity	NPC66840
0.8015	Intermediate Similarity	NPC256307
0.8015	Intermediate Similarity	NPC170694
0.8	Intermediate Similarity	NPC127624
0.8	Intermediate Similarity	NPC202762
0.8	Intermediate Similarity	NPC16208
0.8	Intermediate Similarity	NPC86655
0.8	Intermediate Similarity	NPC7903
0.8	Intermediate Similarity	NPC35932
0.8	Intermediate Similarity	NPC160991
0.8	Intermediate Similarity	NPC184447
0.7985	Intermediate Similarity	NPC266197
0.7985	Intermediate Similarity	NPC262189
0.7985	Intermediate Similarity	NPC291101
0.7984	Intermediate Similarity	NPC91291
0.7984	Intermediate Similarity	NPC229231
0.797	Intermediate Similarity	NPC276490
0.797	Intermediate Similarity	NPC474282
0.797	Intermediate Similarity	NPC107551
0.797	Intermediate Similarity	NPC326797
0.797	Intermediate Similarity	NPC102904
0.797	Intermediate Similarity	NPC474390
0.797	Intermediate Similarity	NPC176051
0.797	Intermediate Similarity	NPC103976
0.7969	Intermediate Similarity	NPC266691
0.7969	Intermediate Similarity	NPC46274
0.7969	Intermediate Similarity	NPC226331
0.7955	Intermediate Similarity	NPC472337
0.7955	Intermediate Similarity	NPC281521
0.7955	Intermediate Similarity	NPC201357
0.7955	Intermediate Similarity	NPC134968
0.7955	Intermediate Similarity	NPC261873
0.7955	Intermediate Similarity	NPC255147
0.7955	Intermediate Similarity	NPC283009
0.7953	Intermediate Similarity	NPC171533
0.7946	Intermediate Similarity	NPC314803
0.7939	Intermediate Similarity	NPC168059
0.7939	Intermediate Similarity	NPC229442
0.7923	Intermediate Similarity	NPC309787
0.7923	Intermediate Similarity	NPC472597
0.792	Intermediate Similarity	NPC262253
0.792	Intermediate Similarity	NPC71579
0.792	Intermediate Similarity	NPC473411
0.791	Intermediate Similarity	NPC127218
0.791	Intermediate Similarity	NPC319647
0.791	Intermediate Similarity	NPC25966
0.791	Intermediate Similarity	NPC245207
0.7907	Intermediate Similarity	NPC10225
0.7907	Intermediate Similarity	NPC58164
0.7899	Intermediate Similarity	NPC150714
0.7899	Intermediate Similarity	NPC95652
0.7895	Intermediate Similarity	NPC472336
0.7895	Intermediate Similarity	NPC472334
0.7881	Intermediate Similarity	NPC247871
0.7879	Intermediate Similarity	NPC103967
0.7869	Intermediate Similarity	NPC9248
0.7863	Intermediate Similarity	NPC470752
0.7857	Intermediate Similarity	NPC95168
0.7852	Intermediate Similarity	NPC20520
0.7852	Intermediate Similarity	NPC22317
0.7852	Intermediate Similarity	NPC61783
0.7852	Intermediate Similarity	NPC259519
0.7846	Intermediate Similarity	NPC299221
0.7846	Intermediate Similarity	NPC51840
0.7846	Intermediate Similarity	NPC311680
0.7846	Intermediate Similarity	NPC234488
0.7846	Intermediate Similarity	NPC469614
0.7846	Intermediate Similarity	NPC220935
0.7846	Intermediate Similarity	NPC469612
0.7846	Intermediate Similarity	NPC472338
0.7842	Intermediate Similarity	NPC97937
0.7842	Intermediate Similarity	NPC275125
0.7842	Intermediate Similarity	NPC170239
0.784	Intermediate Similarity	NPC97432
0.784	Intermediate Similarity	NPC190454
0.7836	Intermediate Similarity	NPC90615
0.7836	Intermediate Similarity	NPC73535
0.7836	Intermediate Similarity	NPC65530
0.7836	Intermediate Similarity	NPC25111
0.7836	Intermediate Similarity	NPC201145
0.7836	Intermediate Similarity	NPC272157
0.7836	Intermediate Similarity	NPC59324
0.7836	Intermediate Similarity	NPC6262
0.7829	Intermediate Similarity	NPC63179
0.7823	Intermediate Similarity	NPC10932
0.7823	Intermediate Similarity	NPC232084
0.7823	Intermediate Similarity	NPC61516
0.7823	Intermediate Similarity	NPC247364
0.782	Intermediate Similarity	NPC474206
0.782	Intermediate Similarity	NPC112246
0.782	Intermediate Similarity	NPC94750
0.782	Intermediate Similarity	NPC195022
0.782	Intermediate Similarity	NPC234333
0.782	Intermediate Similarity	NPC112939
0.782	Intermediate Similarity	NPC121812
0.782	Intermediate Similarity	NPC470356
0.782	Intermediate Similarity	NPC260898
0.782	Intermediate Similarity	NPC47398
0.7812	Intermediate Similarity	NPC45728
0.7812	Intermediate Similarity	NPC476006
0.781	Intermediate Similarity	NPC252169
0.7805	Intermediate Similarity	NPC228907
0.7803	Intermediate Similarity	NPC269528
0.7803	Intermediate Similarity	NPC36661
0.7794	Intermediate Similarity	NPC247291
0.7794	Intermediate Similarity	NPC471389
0.7794	Intermediate Similarity	NPC178054
0.7794	Intermediate Similarity	NPC311530
0.7786	Intermediate Similarity	NPC220825
0.7786	Intermediate Similarity	NPC469625
0.7786	Intermediate Similarity	NPC470095
0.7786	Intermediate Similarity	NPC470096
0.7786	Intermediate Similarity	NPC268266
0.7786	Intermediate Similarity	NPC281549
0.7786	Intermediate Similarity	NPC82503
0.7786	Intermediate Similarity	NPC30043
0.7786	Intermediate Similarity	NPC268342
0.7786	Intermediate Similarity	NPC469613
0.7786	Intermediate Similarity	NPC42760
0.7778	Intermediate Similarity	NPC55947
0.7778	Intermediate Similarity	NPC212770
0.7778	Intermediate Similarity	NPC98777
0.7778	Intermediate Similarity	NPC19869
0.777	Intermediate Similarity	NPC112251
0.7769	Intermediate Similarity	NPC226788
0.7769	Intermediate Similarity	NPC190629
0.7769	Intermediate Similarity	NPC202582
0.7769	Intermediate Similarity	NPC210623
0.7769	Intermediate Similarity	NPC285339
0.7769	Intermediate Similarity	NPC273295
0.7769	Intermediate Similarity	NPC222004
0.7769	Intermediate Similarity	NPC470258
0.7769	Intermediate Similarity	NPC218856
0.7769	Intermediate Similarity	NPC3439
0.7761	Intermediate Similarity	NPC203230
0.7761	Intermediate Similarity	NPC227503
0.7761	Intermediate Similarity	NPC270456
0.7761	Intermediate Similarity	NPC242028
0.7761	Intermediate Similarity	NPC230734
0.7761	Intermediate Similarity	NPC300846
0.7761	Intermediate Similarity	NPC306441
0.7761	Intermediate Similarity	NPC162659
0.7761	Intermediate Similarity	NPC269091
0.7761	Intermediate Similarity	NPC476639
0.7761	Intermediate Similarity	NPC302701
0.7761	Intermediate Similarity	NPC173660
0.7761	Intermediate Similarity	NPC248727
0.7761	Intermediate Similarity	NPC114155
0.7761	Intermediate Similarity	NPC265433
0.7761	Intermediate Similarity	NPC474639
0.7761	Intermediate Similarity	NPC16435
0.776	Intermediate Similarity	NPC166759

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC151617 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	310
0.1-0.2	1063
0.2-0.3	2742
0.3-0.4	2586
0.4-0.5	1406
0.5-0.6	829
0.6-0.7	198
0.7-0.8	26
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
0.8031	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7969	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD1613	Approved
0.7727	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7652	Intermediate Similarity	NPD291	Approved
0.7634	Intermediate Similarity	NPD3027	Phase 3
0.7589	Intermediate Similarity	NPD9296	Approved
0.7381	Intermediate Similarity	NPD1548	Phase 1
0.7364	Intermediate Similarity	NPD9094	Approved
0.7293	Intermediate Similarity	NPD4908	Phase 1
0.725	Intermediate Similarity	NPD968	Approved
0.7185	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD2982	Phase 2
0.7176	Intermediate Similarity	NPD2983	Phase 2
0.7168	Intermediate Similarity	NPD9365	Approved
0.7165	Intermediate Similarity	NPD1408	Clinical (unspecified phase)
0.7164	Intermediate Similarity	NPD3537	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD1610	Phase 2
0.7143	Intermediate Similarity	NPD9295	Approved
0.7123	Intermediate Similarity	NPD1653	Approved
0.7114	Intermediate Similarity	NPD2801	Approved
0.7109	Intermediate Similarity	NPD7533	Approved
0.7109	Intermediate Similarity	NPD7534	Approved
0.7099	Intermediate Similarity	NPD2981	Phase 2
0.7073	Intermediate Similarity	NPD556	Approved
0.7071	Intermediate Similarity	NPD3454	Phase 3
0.702	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD1511	Approved
0.6963	Remote Similarity	NPD3018	Phase 2
0.6947	Remote Similarity	NPD915	Approved
0.6933	Remote Similarity	NPD1934	Approved
0.6917	Remote Similarity	NPD4749	Approved
0.6894	Remote Similarity	NPD1091	Approved
0.6881	Remote Similarity	NPD9093	Approved
0.6871	Remote Similarity	NPD1512	Approved
0.6861	Remote Similarity	NPD4625	Phase 3
0.6835	Remote Similarity	NPD1558	Phase 1
0.6825	Remote Similarity	NPD228	Approved
0.6818	Remote Similarity	NPD9089	Approved
0.6815	Remote Similarity	NPD3827	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6815	Remote Similarity	NPD6166	Phase 2
0.6815	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6791	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6767	Remote Similarity	NPD422	Phase 1
0.6763	Remote Similarity	NPD6233	Phase 2
0.6715	Remote Similarity	NPD2861	Phase 2
0.671	Remote Similarity	NPD6234	Discontinued
0.6667	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD9299	Approved
0.6667	Remote Similarity	NPD1465	Phase 2
0.664	Remote Similarity	NPD290	Approved
0.664	Remote Similarity	NPD9552	Approved
0.6618	Remote Similarity	NPD3225	Approved
0.6617	Remote Similarity	NPD5846	Approved
0.6617	Remote Similarity	NPD6516	Phase 2
0.6615	Remote Similarity	NPD6671	Approved
0.6581	Remote Similarity	NPD3882	Suspended
0.6579	Remote Similarity	NPD4675	Approved
0.6579	Remote Similarity	NPD4678	Approved
0.6571	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6571	Remote Similarity	NPD6410	Clinical (unspecified phase)
0.6557	Remote Similarity	NPD1242	Phase 1
0.6532	Remote Similarity	NPD9501	Approved
0.6524	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6522	Remote Similarity	NPD3818	Discontinued
0.6519	Remote Similarity	NPD1535	Discovery
0.6519	Remote Similarity	NPD7199	Phase 2
0.6516	Remote Similarity	NPD3817	Phase 2
0.6512	Remote Similarity	NPD7843	Approved
0.651	Remote Similarity	NPD7212	Phase 2
0.651	Remote Similarity	NPD7213	Phase 3
0.6503	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6494	Remote Similarity	NPD37	Approved
0.6486	Remote Similarity	NPD6190	Approved
0.6481	Remote Similarity	NPD5844	Phase 1
0.6481	Remote Similarity	NPD7054	Approved
0.6474	Remote Similarity	NPD4967	Phase 2
0.6474	Remote Similarity	NPD4966	Approved
0.6474	Remote Similarity	NPD4965	Approved
0.6471	Remote Similarity	NPD1481	Phase 2
0.6467	Remote Similarity	NPD7447	Phase 1
0.6467	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6462	Remote Similarity	NPD5283	Phase 1
0.6457	Remote Similarity	NPD2684	Approved
0.6455	Remote Similarity	NPD9088	Approved
0.6442	Remote Similarity	NPD7472	Approved
0.6442	Remote Similarity	NPD7074	Phase 3
0.6438	Remote Similarity	NPD3540	Phase 1
0.6438	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD7184	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6424	Remote Similarity	NPD1940	Clinical (unspecified phase)
0.6423	Remote Similarity	NPD6583	Phase 3
0.6423	Remote Similarity	NPD6582	Phase 2
0.642	Remote Similarity	NPD7228	Approved
0.6419	Remote Similarity	NPD3750	Approved
0.641	Remote Similarity	NPD5402	Approved
0.6403	Remote Similarity	NPD1469	Clinical (unspecified phase)
0.64	Remote Similarity	NPD4357	Discontinued
0.6395	Remote Similarity	NPD1549	Phase 2
0.6385	Remote Similarity	NPD5535	Approved
0.6382	Remote Similarity	NPD5403	Approved
0.6375	Remote Similarity	NPD6232	Discontinued
0.637	Remote Similarity	NPD1551	Phase 2
0.637	Remote Similarity	NPD6099	Approved
0.637	Remote Similarity	NPD3539	Phase 1
0.637	Remote Similarity	NPD6100	Approved
0.6364	Remote Similarity	NPD3620	Phase 2
0.6364	Remote Similarity	NPD3619	Clinical (unspecified phase)
0.6364	Remote Similarity	NPD4380	Phase 2
0.6364	Remote Similarity	NPD7157	Approved
0.6358	Remote Similarity	NPD5401	Approved
0.6358	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6357	Remote Similarity	NPD5266	Clinical (unspecified phase)
0.6351	Remote Similarity	NPD1652	Phase 2
0.6345	Remote Similarity	NPD4538	Approved
0.6345	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6345	Remote Similarity	NPD4536	Approved
0.6338	Remote Similarity	NPD6798	Discontinued
0.6329	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6327	Remote Similarity	NPD7266	Discontinued
0.6325	Remote Similarity	NPD7549	Discontinued
0.6319	Remote Similarity	NPD4340	Discontinued
0.6319	Remote Similarity	NPD230	Phase 1
0.6306	Remote Similarity	NPD6374	Clinical (unspecified phase)
0.6303	Remote Similarity	NPD6797	Phase 2
0.6301	Remote Similarity	NPD5960	Phase 3
0.6301	Remote Similarity	NPD5588	Approved
0.6299	Remote Similarity	NPD6055	Clinical (unspecified phase)
0.6296	Remote Similarity	NPD1798	Approved
0.6296	Remote Similarity	NPD1797	Approved
0.6291	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6286	Remote Similarity	NPD6584	Phase 3
0.6282	Remote Similarity	NPD3384	Approved
0.6282	Remote Similarity	NPD3382	Approved
0.6282	Remote Similarity	NPD3383	Approved
0.6279	Remote Similarity	NPD3022	Approved
0.6279	Remote Similarity	NPD3021	Approved
0.6277	Remote Similarity	NPD3705	Approved
0.6275	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6269	Remote Similarity	NPD5536	Phase 2
0.6268	Remote Similarity	NPD7095	Approved
0.6267	Remote Similarity	NPD5307	Clinical (unspecified phase)
0.6267	Remote Similarity	NPD2219	Phase 1
0.6265	Remote Similarity	NPD7251	Discontinued
0.6259	Remote Similarity	NPD6696	Suspended
0.6258	Remote Similarity	NPD7473	Discontinued
0.625	Remote Similarity	NPD8053	Approved
0.625	Remote Similarity	NPD4123	Phase 3
0.625	Remote Similarity	NPD8054	Approved
0.6242	Remote Similarity	NPD6674	Discontinued
0.6241	Remote Similarity	NPD191	Approved
0.6231	Remote Similarity	NPD2671	Approved
0.6231	Remote Similarity	NPD2673	Approved
0.6228	Remote Similarity	NPD7808	Phase 3
0.6226	Remote Similarity	NPD7075	Discontinued
0.6218	Remote Similarity	NPD7411	Suspended
0.6214	Remote Similarity	NPD2797	Approved
0.6214	Remote Similarity	NPD1203	Approved
0.6207	Remote Similarity	NPD1933	Approved
0.6207	Remote Similarity	NPD447	Suspended
0.6203	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.62	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6194	Remote Similarity	NPD4005	Discontinued
0.619	Remote Similarity	NPD1510	Phase 2
0.6184	Remote Similarity	NPD6799	Approved
0.6176	Remote Similarity	NPD6382	Discontinued
0.617	Remote Similarity	NPD6917	Clinical (unspecified phase)
0.6164	Remote Similarity	NPD2224	Approved
0.6164	Remote Similarity	NPD2223	Approved
0.6154	Remote Similarity	NPD5451	Approved
0.6149	Remote Similarity	NPD5494	Approved
0.6149	Remote Similarity	NPD5677	Discontinued
0.6148	Remote Similarity	NPD1103	Approved
0.6148	Remote Similarity	NPD1102	Approved
0.6143	Remote Similarity	NPD8651	Approved
0.6138	Remote Similarity	NPD1240	Approved
0.6138	Remote Similarity	NPD4060	Phase 1
0.6138	Remote Similarity	NPD5837	Clinical (unspecified phase)
0.6133	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6127	Remote Similarity	NPD2250	Discontinued
0.6118	Remote Similarity	NPD5058	Phase 3
0.6115	Remote Similarity	NPD1608	Approved
0.6111	Remote Similarity	NPD940	Approved
0.6111	Remote Similarity	NPD3268	Approved
0.6111	Remote Similarity	NPD846	Approved
0.6096	Remote Similarity	NPD5123	Clinical (unspecified phase)
0.6096	Remote Similarity	NPD5124	Phase 1
0.6093	Remote Similarity	NPD3892	Phase 2
0.6091	Remote Similarity	NPD9087	Approved
0.6087	Remote Similarity	NPD3447	Discontinued
0.6087	Remote Similarity	NPD3496	Discontinued
0.6081	Remote Similarity	NPD7033	Discontinued
0.6081	Remote Similarity	NPD3748	Approved
0.6076	Remote Similarity	NPD6801	Discontinued
0.6074	Remote Similarity	NPD3787	Discontinued
0.6062	Remote Similarity	NPD7768	Phase 2
0.6058	Remote Similarity	NPD1357	Approved
0.6054	Remote Similarity	NPD1607	Approved

Structure

NPC151617 OpenBabel07101719522D 27 29 0 0 0 0 0 0 0 0999 V2000 2.5981 2.5000 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 2.5000 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 -4.3301 -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 -1.5000 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 1.7321 3.0000 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 -0.0000 -2.0000 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 -2.5981 -1.5000 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 0.8660 -0.5000 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 -2.5981 -0.5000 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 3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 O 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 -3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -0.0000 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 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 12 2 0 0 0 0 3 9 2 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 11 2 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 26 1 0 0 0 0 13 17 2 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 27 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21626545
ChEMBL	CHEMBL1083394
ZINC

Physicochemical Properties

Molecular Weight:	374.06
ALogP:	-3.5303
MLogP:	2.45
XLogP:	-0.169
# Rotatable Bonds:	11
Polar Surface Area:	160.07
# H-Bond Aceptor:	0
# H-Bond Donor:	7
# Rings:	3
# Heavy Atoms:	27

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