NPASS Natural Product

Natural Product: NPC317430

Natural Product ID:	NPC317430
Common Name:	2-[2-(5-Ethenyl-1-Azabicyclo[2.2.2]Octan-2-Yl)-1H-Indol-3-Yl]Ethanol
IUPAC Name:	2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol
Synonyms:
Molecular Formula:	C19H24N2O
Standard InCHIKey:	YAUKSCGKZYUZRH-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
Canonical SMILES:	OCCc1c([nH]c2c1cccc2)C1CC2CCN1CC2C=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
NPO30377	Cinchona ledgeriana	Species	Rubiaceae	Eukaryota				TCM_Taiwan*

Biological Activity

Activity Type	# Activity
Ki	2
Potency	6

Activity Type	# Activity
Individual Protein	6
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Potency	=	580.5	nM	PubChem BioAssay data set
NPT430	Individual Protein	Acetylcholine-binding protein	Lymnaea stagnalis	Ki	=	398.11	nM	21920761
NPT410	Individual Protein	Neuronal acetylcholine receptor protein alpha-7 subunit	Homo sapiens	Ki	<=	4.5	nM	21920761
NPT8	Individual Protein	DNA polymerase iota	Homo sapiens	Potency		89125.1	nM	PubChem BioAssay data set
NPT2966	Individual Protein	T-complex protein 1 subunit beta	Macaaca fascicularis	Potency		12589.3	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		25929	nM	PubChem BioAssay data set
NPT10	Individual Protein	Geminin	Homo sapiens	Potency		1636	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency		580.5	nM	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 NPC317430 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	276
0.1-0.2	1630
0.2-0.3	10629
0.3-0.4	12828
0.4-0.5	2232
0.5-0.6	1621
0.6-0.7	1039
0.7-0.8	529
0.8-0.85	85
0.85-0.9	17
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.943	High Similarity	NPC472123
0.903	High Similarity	NPC139291
0.903	High Similarity	NPC472108
0.8896	High Similarity	NPC189812
0.8896	High Similarity	NPC329688
0.8802	High Similarity	NPC19679
0.8765	High Similarity	NPC175474
0.8713	High Similarity	NPC469470
0.8713	High Similarity	NPC469501
0.869	High Similarity	NPC472110
0.869	High Similarity	NPC472109
0.8639	High Similarity	NPC472294
0.8625	High Similarity	NPC230869
0.8618	High Similarity	NPC88097
0.8588	High Similarity	NPC249040
0.8571	High Similarity	NPC255229
0.8571	High Similarity	NPC81229
0.8503	High Similarity	NPC24594
0.8503	High Similarity	NPC472122
0.85	High Similarity	NPC285469
0.8497	Intermediate Similarity	NPC95783
0.8452	Intermediate Similarity	NPC326575
0.8402	Intermediate Similarity	NPC133261
0.8385	Intermediate Similarity	NPC469785
0.8371	Intermediate Similarity	NPC50503
0.8371	Intermediate Similarity	NPC52557
0.8353	Intermediate Similarity	NPC15840
0.8353	Intermediate Similarity	NPC472105
0.8353	Intermediate Similarity	NPC187827
0.8333	Intermediate Similarity	NPC469762
0.8333	Intermediate Similarity	NPC111602
0.8333	Intermediate Similarity	NPC63199
0.8333	Intermediate Similarity	NPC102338
0.8333	Intermediate Similarity	NPC196251
0.8293	Intermediate Similarity	NPC16667
0.8286	Intermediate Similarity	NPC472112
0.8278	Intermediate Similarity	NPC195461
0.8278	Intermediate Similarity	NPC49196
0.8278	Intermediate Similarity	NPC313985
0.8278	Intermediate Similarity	NPC249150
0.8278	Intermediate Similarity	NPC79129
0.8278	Intermediate Similarity	NPC81654
0.8272	Intermediate Similarity	NPC141353
0.8266	Intermediate Similarity	NPC15102
0.8253	Intermediate Similarity	NPC474561
0.8253	Intermediate Similarity	NPC49954
0.8253	Intermediate Similarity	NPC54988
0.8242	Intermediate Similarity	NPC271797
0.8242	Intermediate Similarity	NPC21174
0.8239	Intermediate Similarity	NPC21605
0.8235	Intermediate Similarity	NPC198988
0.8225	Intermediate Similarity	NPC472586
0.821	Intermediate Similarity	NPC207726
0.8204	Intermediate Similarity	NPC63751
0.8198	Intermediate Similarity	NPC314394
0.8193	Intermediate Similarity	NPC470508
0.8192	Intermediate Similarity	NPC472113
0.8187	Intermediate Similarity	NPC472443
0.8182	Intermediate Similarity	NPC325252
0.8166	Intermediate Similarity	NPC34508
0.8153	Intermediate Similarity	NPC63157
0.8153	Intermediate Similarity	NPC473868
0.8148	Intermediate Similarity	NPC259644
0.8148	Intermediate Similarity	NPC469765
0.8148	Intermediate Similarity	NPC469786
0.8148	Intermediate Similarity	NPC469763
0.8148	Intermediate Similarity	NPC469760
0.8148	Intermediate Similarity	NPC73952
0.8148	Intermediate Similarity	NPC25008
0.8144	Intermediate Similarity	NPC160105
0.8133	Intermediate Similarity	NPC311276
0.8133	Intermediate Similarity	NPC102423
0.8129	Intermediate Similarity	NPC15573
0.8129	Intermediate Similarity	NPC217372
0.8129	Intermediate Similarity	NPC183662
0.8121	Intermediate Similarity	NPC279918
0.8113	Intermediate Similarity	NPC470440
0.8098	Intermediate Similarity	NPC75540
0.8098	Intermediate Similarity	NPC470507
0.8098	Intermediate Similarity	NPC70922
0.8098	Intermediate Similarity	NPC211572
0.8098	Intermediate Similarity	NPC80597
0.8098	Intermediate Similarity	NPC212376
0.8095	Intermediate Similarity	NPC201700
0.8095	Intermediate Similarity	NPC154293
0.8092	Intermediate Similarity	NPC233936
0.8089	Intermediate Similarity	NPC59084
0.8081	Intermediate Similarity	NPC219336
0.8072	Intermediate Similarity	NPC282231
0.807	Intermediate Similarity	NPC121903
0.8068	Intermediate Similarity	NPC472323
0.8061	Intermediate Similarity	NPC474880
0.8061	Intermediate Similarity	NPC67056
0.8061	Intermediate Similarity	NPC475990
0.8061	Intermediate Similarity	NPC221786
0.8047	Intermediate Similarity	NPC280548
0.8046	Intermediate Similarity	NPC48938
0.8046	Intermediate Similarity	NPC472444
0.8024	Intermediate Similarity	NPC476118
0.8023	Intermediate Similarity	NPC151939
0.8012	Intermediate Similarity	NPC37423
0.8012	Intermediate Similarity	NPC131718
0.8012	Intermediate Similarity	NPC229173
0.8012	Intermediate Similarity	NPC275305
0.8	Intermediate Similarity	NPC158129
0.7989	Intermediate Similarity	NPC113626
0.7989	Intermediate Similarity	NPC71037
0.7977	Intermediate Similarity	NPC270009
0.7975	Intermediate Similarity	NPC2949
0.7968	Intermediate Similarity	NPC475910
0.7968	Intermediate Similarity	NPC87755
0.7965	Intermediate Similarity	NPC150048
0.7965	Intermediate Similarity	NPC203754
0.7963	Intermediate Similarity	NPC37548
0.7953	Intermediate Similarity	NPC314603
0.7953	Intermediate Similarity	NPC313791
0.7949	Intermediate Similarity	NPC218268
0.7947	Intermediate Similarity	NPC469592
0.7947	Intermediate Similarity	NPC471080
0.7933	Intermediate Similarity	NPC243716
0.7931	Intermediate Similarity	NPC469896
0.7926	Intermediate Similarity	NPC476116
0.7919	Intermediate Similarity	NPC59269
0.7919	Intermediate Similarity	NPC68354
0.7919	Intermediate Similarity	NPC293472
0.7917	Intermediate Similarity	NPC40779
0.7917	Intermediate Similarity	NPC194640
0.7914	Intermediate Similarity	NPC33421
0.791	Intermediate Similarity	NPC478077
0.7901	Intermediate Similarity	NPC19692
0.7901	Intermediate Similarity	NPC220151
0.7898	Intermediate Similarity	NPC472119
0.7892	Intermediate Similarity	NPC129721
0.7888	Intermediate Similarity	NPC314372
0.7888	Intermediate Similarity	NPC204141
0.7886	Intermediate Similarity	NPC192270
0.7884	Intermediate Similarity	NPC475422
0.788	Intermediate Similarity	NPC128265
0.788	Intermediate Similarity	NPC329793
0.788	Intermediate Similarity	NPC199851
0.788	Intermediate Similarity	NPC294909
0.788	Intermediate Similarity	NPC254240
0.788	Intermediate Similarity	NPC312870
0.7877	Intermediate Similarity	NPC329858
0.7877	Intermediate Similarity	NPC314333
0.7869	Intermediate Similarity	NPC265576
0.7853	Intermediate Similarity	NPC188387
0.7853	Intermediate Similarity	NPC163421
0.7849	Intermediate Similarity	NPC161861
0.7841	Intermediate Similarity	NPC163055
0.7841	Intermediate Similarity	NPC472104
0.7836	Intermediate Similarity	NPC194411
0.7829	Intermediate Similarity	NPC91179
0.7829	Intermediate Similarity	NPC300688
0.7819	Intermediate Similarity	NPC473362
0.7819	Intermediate Similarity	NPC166492
0.7814	Intermediate Similarity	NPC232130
0.7811	Intermediate Similarity	NPC469541
0.7809	Intermediate Similarity	NPC62749
0.7809	Intermediate Similarity	NPC474707
0.7807	Intermediate Similarity	NPC475070
0.7797	Intermediate Similarity	NPC258480
0.7784	Intermediate Similarity	NPC470497
0.7784	Intermediate Similarity	NPC469594
0.7771	Intermediate Similarity	NPC176199
0.7771	Intermediate Similarity	NPC215795
0.7771	Intermediate Similarity	NPC38736
0.7765	Intermediate Similarity	NPC317030
0.7765	Intermediate Similarity	NPC204565
0.7764	Intermediate Similarity	NPC190296
0.7764	Intermediate Similarity	NPC20144
0.776	Intermediate Similarity	NPC245916
0.7759	Intermediate Similarity	NPC134586
0.7758	Intermediate Similarity	NPC470233
0.7753	Intermediate Similarity	NPC472107
0.7753	Intermediate Similarity	NPC79062
0.775	Intermediate Similarity	NPC115611
0.7746	Intermediate Similarity	NPC97525
0.7744	Intermediate Similarity	NPC187951
0.7742	Intermediate Similarity	NPC22079
0.774	Intermediate Similarity	NPC469358
0.774	Intermediate Similarity	NPC143533
0.7733	Intermediate Similarity	NPC474897
0.773	Intermediate Similarity	NPC241024
0.773	Intermediate Similarity	NPC100321
0.7722	Intermediate Similarity	NPC173028
0.7722	Intermediate Similarity	NPC65215
0.7722	Intermediate Similarity	NPC213629
0.7719	Intermediate Similarity	NPC109447
0.7716	Intermediate Similarity	NPC242556
0.7714	Intermediate Similarity	NPC211997
0.7714	Intermediate Similarity	NPC111275
0.7714	Intermediate Similarity	NPC234987
0.7714	Intermediate Similarity	NPC248454
0.7709	Intermediate Similarity	NPC94752
0.7709	Intermediate Similarity	NPC315555
0.7709	Intermediate Similarity	NPC66210
0.7701	Intermediate Similarity	NPC162730
0.7697	Intermediate Similarity	NPC105818
0.7697	Intermediate Similarity	NPC24678

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC317430 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	191
0.1-0.2	507
0.2-0.3	987
0.3-0.4	1234
0.4-0.5	2407
0.5-0.6	2418
0.6-0.7	1148
0.7-0.8	256
0.8-0.85	13
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8415	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD5065	Approved
0.8278	Intermediate Similarity	NPD4600	Approved
0.8278	Intermediate Similarity	NPD4601	Approved
0.8263	Intermediate Similarity	NPD1325	Approved
0.8263	Intermediate Similarity	NPD1326	Approved
0.8176	Intermediate Similarity	NPD2380	Approved
0.8176	Intermediate Similarity	NPD2382	Approved
0.8176	Intermediate Similarity	NPD2381	Approved
0.8059	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.8047	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.8024	Intermediate Similarity	NPD5138	Approved
0.8024	Intermediate Similarity	NPD5140	Approved
0.7987	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7977	Intermediate Similarity	NPD4076	Approved
0.7977	Intermediate Similarity	NPD4079	Approved
0.7975	Intermediate Similarity	NPD2882	Phase 1
0.7955	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.7931	Intermediate Similarity	NPD6595	Phase 3
0.7931	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7925	Intermediate Similarity	NPD1592	Phase 3
0.7919	Intermediate Similarity	NPD3505	Approved
0.7919	Intermediate Similarity	NPD3506	Approved
0.7895	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.788	Intermediate Similarity	NPD4500	Approved
0.788	Intermediate Similarity	NPD4501	Approved
0.7877	Intermediate Similarity	NPD4499	Approved
0.7866	Intermediate Similarity	NPD6158	Phase 2
0.7866	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7865	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7841	Intermediate Similarity	NPD5596	Phase 2
0.7818	Intermediate Similarity	NPD2837	Discontinued
0.7816	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD1722	Approved
0.7805	Intermediate Similarity	NPD4463	Approved
0.7805	Intermediate Similarity	NPD4462	Approved
0.7791	Intermediate Similarity	NPD4703	Approved
0.7791	Intermediate Similarity	NPD4702	Approved
0.7759	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7751	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.774	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7735	Intermediate Similarity	NPD5913	Phase 3
0.7735	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD1683	Approved
0.773	Intermediate Similarity	NPD4118	Clinical (unspecified phase)
0.7714	Intermediate Similarity	NPD4181	Approved
0.7714	Intermediate Similarity	NPD2144	Approved
0.7684	Intermediate Similarity	NPD3038	Discontinued
0.7674	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.767	Intermediate Similarity	NPD8386	Phase 2
0.7667	Intermediate Similarity	NPD2383	Phase 1
0.765	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.764	Intermediate Similarity	NPD2094	Phase 2
0.764	Intermediate Similarity	NPD2095	Phase 2
0.764	Intermediate Similarity	NPD2092	Phase 2
0.7637	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7619	Intermediate Similarity	NPD5426	Phase 3
0.7609	Intermediate Similarity	NPD4602	Approved
0.7607	Intermediate Similarity	NPD5254	Discontinued
0.76	Intermediate Similarity	NPD482	Approved
0.76	Intermediate Similarity	NPD6492	Phase 2
0.7598	Intermediate Similarity	NPD2091	Phase 2
0.7598	Intermediate Similarity	NPD2096	Phase 2
0.7595	Intermediate Similarity	NPD3385	Approved
0.7584	Intermediate Similarity	NPD4203	Approved
0.7584	Intermediate Similarity	NPD4204	Approved
0.7581	Intermediate Similarity	NPD3230	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD786	Approved
0.7574	Intermediate Similarity	NPD4669	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD4671	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD4670	Clinical (unspecified phase)
0.7572	Intermediate Similarity	NPD4640	Approved
0.7572	Intermediate Similarity	NPD4639	Approved
0.7572	Intermediate Similarity	NPD2844	Phase 3
0.7572	Intermediate Similarity	NPD5021	Discontinued
0.7572	Intermediate Similarity	NPD4638	Approved
0.7569	Intermediate Similarity	NPD8431	Approved
0.7568	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD6227	Discontinued
0.7539	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD5255	Approved
0.7527	Intermediate Similarity	NPD5003	Discontinued
0.75	Intermediate Similarity	NPD3323	Discontinued
0.75	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4128	Approved
0.75	Intermediate Similarity	NPD3404	Approved
0.7471	Intermediate Similarity	NPD5862	Discovery
0.7458	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7446	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD3717	Discontinued
0.7435	Intermediate Similarity	NPD8272	Phase 2
0.7433	Intermediate Similarity	NPD7948	Phase 1
0.7432	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7425	Intermediate Similarity	NPD3100	Discontinued
0.7425	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD3324	Clinical (unspecified phase)
0.7409	Intermediate Similarity	NPD5658	Approved
0.7396	Intermediate Similarity	NPD3003	Approved
0.7394	Intermediate Similarity	NPD4397	Phase 1
0.7389	Intermediate Similarity	NPD7867	Phase 1
0.7387	Intermediate Similarity	NPD7194	Discontinued
0.7356	Intermediate Similarity	NPD4550	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD3330	Phase 1
0.7345	Intermediate Similarity	NPD750	Phase 2
0.7342	Intermediate Similarity	NPD3654	Approved
0.7341	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD6452	Discontinued
0.7333	Intermediate Similarity	NPD5473	Discontinued
0.7326	Intermediate Similarity	NPD1554	Clinical (unspecified phase)
0.7308	Intermediate Similarity	NPD6178	Phase 3
0.7306	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD6403	Clinical (unspecified phase)
0.7306	Intermediate Similarity	NPD7957	Phase 1
0.7297	Intermediate Similarity	NPD6281	Approved
0.7292	Intermediate Similarity	NPD4886	Phase 2
0.7288	Intermediate Similarity	NPD3610	Approved
0.7288	Intermediate Similarity	NPD3609	Approved
0.7287	Intermediate Similarity	NPD7935	Phase 2
0.7283	Intermediate Similarity	NPD3961	Discontinued
0.7283	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7282	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2641	Approved
0.7273	Intermediate Similarity	NPD2640	Approved
0.7273	Intermediate Similarity	NPD1038	Approved
0.7273	Intermediate Similarity	NPD802	Phase 2
0.7273	Intermediate Similarity	NPD6301	Phase 2
0.7268	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD5555	Phase 1
0.7268	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD3082	Discontinued
0.7267	Intermediate Similarity	NPD4326	Phase 2
0.7263	Intermediate Similarity	NPD4075	Phase 2
0.7263	Intermediate Similarity	NPD1768	Approved
0.7263	Intermediate Similarity	NPD2175	Phase 3
0.7263	Intermediate Similarity	NPD2177	Approved
0.7263	Intermediate Similarity	NPD5104	Approved
0.7263	Intermediate Similarity	NPD2176	Approved
0.7262	Intermediate Similarity	NPD1661	Suspended
0.7262	Intermediate Similarity	NPD4547	Phase 3
0.7257	Intermediate Similarity	NPD2915	Discontinued
0.7254	Intermediate Similarity	NPD5901	Discontinued
0.7253	Intermediate Similarity	NPD5522	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD6285	Phase 2
0.7239	Intermediate Similarity	NPD1262	Discovery
0.7234	Intermediate Similarity	NPD7618	Phase 3
0.7234	Intermediate Similarity	NPD7944	Discontinued
0.7234	Intermediate Similarity	NPD7619	Phase 3
0.7231	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD7666	Phase 3
0.7231	Intermediate Similarity	NPD7665	Phase 2
0.7216	Intermediate Similarity	NPD4901	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD7470	Discontinued
0.7204	Intermediate Similarity	NPD2565	Phase 2
0.7204	Intermediate Similarity	NPD2564	Approved
0.7202	Intermediate Similarity	NPD7469	Discontinued
0.7202	Intermediate Similarity	NPD8072	Approved
0.72	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.7189	Intermediate Similarity	NPD8020	Approved
0.7189	Intermediate Similarity	NPD8021	Approved
0.7186	Intermediate Similarity	NPD3813	Approved
0.7181	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD8322	Phase 2
0.7179	Intermediate Similarity	NPD8410	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD3864	Clinical (unspecified phase)
0.7176	Intermediate Similarity	NPD2172	Phase 1
0.7173	Intermediate Similarity	NPD3814	Phase 1
0.7173	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7173	Intermediate Similarity	NPD6248	Phase 2
0.7173	Intermediate Similarity	NPD6249	Phase 2
0.7173	Intermediate Similarity	NPD6999	Discontinued
0.7167	Intermediate Similarity	NPD5100	Phase 3
0.7165	Intermediate Similarity	NPD8114	Approved
0.7165	Intermediate Similarity	NPD8115	Approved
0.7151	Intermediate Similarity	NPD1534	Approved
0.715	Intermediate Similarity	NPD3393	Approved
0.715	Intermediate Similarity	NPD3394	Approved
0.715	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD3389	Approved
0.715	Intermediate Similarity	NPD5721	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2916	Discontinued
0.7143	Intermediate Similarity	NPD1685	Approved
0.7143	Intermediate Similarity	NPD1684	Approved
0.7136	Intermediate Similarity	NPD6165	Phase 2
0.7136	Intermediate Similarity	NPD6164	Phase 2
0.7134	Intermediate Similarity	NPD45	Approved
0.7134	Intermediate Similarity	NPD6554	Approved
0.7128	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7127	Intermediate Similarity	NPD6159	Phase 2
0.7126	Intermediate Similarity	NPD4047	Discontinued
0.7122	Intermediate Similarity	NPD7271	Approved
0.712	Intermediate Similarity	NPD7889	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD4987	Clinical (unspecified phase)
0.7113	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7111	Intermediate Similarity	NPD4736	Clinical (unspecified phase)

Structure

CID317430 OpenBabel06191716142D 22 25 0 0 1 0 0 0 0 0999 V2000 2.2324 -3.3220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 -2.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6831 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -1.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 0.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8723 -1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -2.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 -2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1813 -0.6768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8723 -1.6278 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8941 -1.8358 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9511 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9511 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 -0.1416 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5878 -0.8090 0.0000 C 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 1.5122 0.0664 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5962 -3.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 13 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 15 2 0 0 0 0 6 17 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	521233
ChEMBL	CHEMBL1545942
ZINC

Physicochemical Properties

Molecular Weight:	296.19
ALogP:	-0.5646
MLogP:	3.22
XLogP:	3.134
# Rotatable Bonds:	5
Polar Surface Area:	39.26
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	22

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