NPASS Natural Product

Natural Product: NPC286427

Natural Product ID:	NPC286427
Common Name:	n.a.
IUPAC Name:
Synonyms:	Rel-Deschloro Hapalindole I
Molecular Formula:	C21H22N2
Standard InCHIKey:	OKONSTCTTRLPOR-BTYIYWSLSA-N
Standard InCHI:	InChI=1S/C21H22N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,23H,1,10-11H2,2-4H3/t15-,21-/m0/s1
Canonical SMILES:	[C-]#[N+]C1=C2c3c[nH]c4c3c(C([C@H]2CC[C@]1(C)C=C)(C)C)ccc4
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
NPO33270	westiellopsis sp.	Species	Hapalosiphonaceae	Bacteria				PMID[22863526]
NPO2286	Fischerella muscicola	Species	Hapalosiphonaceae	Bacteria				PMID[22863526]

Biological Activity

Activity Type	# Activity
IC50	1
MIC	6

Activity Type	# Activity
Cell Line	1
Organism	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT20	Organism	Candida albicans	Candida albicans	MIC	>	100000	nM	DrugMatrix in vitro pharmacology data
NPT790	Organism	Mycobacterium tuberculosis H37Rv	Mycobacterium tuberculosis H37Rv	MIC	>	100000	nM	15568791
NPT602	Organism	Mycobacterium smegmatis	Mycobacterium smegmatis	MIC	>	100000	nM	9873492
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	>	100000	nM	24582402
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	100000	nM	12161151
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	100000	nM	7069725
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	MIC	>	100000	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 NPC286427 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	772
0.1-0.2	4622
0.2-0.3	16047
0.3-0.4	5557
0.4-0.5	1570
0.5-0.6	1162
0.6-0.7	753
0.7-0.8	293
0.8-0.85	69
0.85-0.9	39
0.9-0.95	4
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9796	High Similarity	NPC41257
0.94	High Similarity	NPC206819
0.94	High Similarity	NPC318065
0.94	High Similarity	NPC56765
0.9	High Similarity	NPC33421
0.8973	High Similarity	NPC469780
0.8973	High Similarity	NPC469767
0.8973	High Similarity	NPC469783
0.8973	High Similarity	NPC469761
0.8973	High Similarity	NPC469784
0.8973	High Similarity	NPC469779
0.8973	High Similarity	NPC469768
0.8968	High Similarity	NPC90723
0.8961	High Similarity	NPC44773
0.8961	High Similarity	NPC215584
0.8912	High Similarity	NPC469766
0.8904	High Similarity	NPC73767
0.8897	High Similarity	NPC84911
0.8874	High Similarity	NPC53947
0.8867	High Similarity	NPC477134
0.8861	High Similarity	NPC194411
0.8828	High Similarity	NPC96102
0.8828	High Similarity	NPC29886
0.8828	High Similarity	NPC261195
0.8776	High Similarity	NPC110126
0.8767	High Similarity	NPC105127
0.8716	High Similarity	NPC279081
0.8696	High Similarity	NPC275305
0.8696	High Similarity	NPC37423
0.8675	High Similarity	NPC288838
0.865	High Similarity	NPC176199
0.865	High Similarity	NPC215795
0.8609	High Similarity	NPC314372
0.86	High Similarity	NPC190296
0.8591	High Similarity	NPC230002
0.859	High Similarity	NPC216643
0.8589	High Similarity	NPC151939
0.8589	High Similarity	NPC68354
0.8562	High Similarity	NPC201700
0.8552	High Similarity	NPC82295
0.8526	High Similarity	NPC51054
0.8516	High Similarity	NPC325903
0.8506	High Similarity	NPC24678
0.8506	High Similarity	NPC105818
0.8452	Intermediate Similarity	NPC470233
0.8442	Intermediate Similarity	NPC321911
0.8431	Intermediate Similarity	NPC143872
0.84	Intermediate Similarity	NPC312092
0.8397	Intermediate Similarity	NPC469786
0.8397	Intermediate Similarity	NPC469763
0.8397	Intermediate Similarity	NPC469765
0.8397	Intermediate Similarity	NPC469760
0.8397	Intermediate Similarity	NPC25008
0.8397	Intermediate Similarity	NPC259644
0.8397	Intermediate Similarity	NPC73952
0.8377	Intermediate Similarity	NPC469811
0.8377	Intermediate Similarity	NPC179787
0.8377	Intermediate Similarity	NPC471957
0.8377	Intermediate Similarity	NPC201380
0.8375	Intermediate Similarity	NPC162799
0.8373	Intermediate Similarity	NPC300688
0.8366	Intermediate Similarity	NPC159856
0.8344	Intermediate Similarity	NPC80597
0.8344	Intermediate Similarity	NPC70922
0.8344	Intermediate Similarity	NPC2949
0.8344	Intermediate Similarity	NPC212376
0.8344	Intermediate Similarity	NPC211572
0.8344	Intermediate Similarity	NPC75540
0.8312	Intermediate Similarity	NPC63545
0.8302	Intermediate Similarity	NPC135141
0.8302	Intermediate Similarity	NPC92796
0.8299	Intermediate Similarity	NPC475450
0.828	Intermediate Similarity	NPC200214
0.8267	Intermediate Similarity	NPC150259
0.8231	Intermediate Similarity	NPC475428
0.8231	Intermediate Similarity	NPC22079
0.8224	Intermediate Similarity	NPC59084
0.8217	Intermediate Similarity	NPC470823
0.8212	Intermediate Similarity	NPC169433
0.8204	Intermediate Similarity	NPC213468
0.82	Intermediate Similarity	NPC325252
0.8198	Intermediate Similarity	NPC95783
0.8176	Intermediate Similarity	NPC469785
0.817	Intermediate Similarity	NPC473868
0.817	Intermediate Similarity	NPC63157
0.8165	Intermediate Similarity	NPC141926
0.8163	Intermediate Similarity	NPC473587
0.816	Intermediate Similarity	NPC474561
0.816	Intermediate Similarity	NPC49954
0.8148	Intermediate Similarity	NPC317105
0.8146	Intermediate Similarity	NPC314102
0.8146	Intermediate Similarity	NPC251722
0.8141	Intermediate Similarity	NPC21605
0.8133	Intermediate Similarity	NPC198988
0.8125	Intermediate Similarity	NPC469762
0.8121	Intermediate Similarity	NPC473930
0.8113	Intermediate Similarity	NPC34844
0.811	Intermediate Similarity	NPC63751
0.8103	Intermediate Similarity	NPC47190
0.8101	Intermediate Similarity	NPC216713
0.8095	Intermediate Similarity	NPC473762
0.8086	Intermediate Similarity	NPC470203
0.8082	Intermediate Similarity	NPC250361
0.8079	Intermediate Similarity	NPC218268
0.8054	Intermediate Similarity	NPC179365
0.8049	Intermediate Similarity	NPC160105
0.8039	Intermediate Similarity	NPC88097
0.8037	Intermediate Similarity	NPC311276
0.8025	Intermediate Similarity	NPC122141
0.8025	Intermediate Similarity	NPC470204
0.8012	Intermediate Similarity	NPC236711
0.8	Intermediate Similarity	NPC316359
0.8	Intermediate Similarity	NPC315617
0.7987	Intermediate Similarity	NPC282398
0.7976	Intermediate Similarity	NPC280852
0.7975	Intermediate Similarity	NPC2272
0.7975	Intermediate Similarity	NPC282231
0.7964	Intermediate Similarity	NPC477611
0.795	Intermediate Similarity	NPC184476
0.7941	Intermediate Similarity	NPC314919
0.7931	Intermediate Similarity	NPC41174
0.7927	Intermediate Similarity	NPC40779
0.7927	Intermediate Similarity	NPC194640
0.7914	Intermediate Similarity	NPC279918
0.7908	Intermediate Similarity	NPC125746
0.7904	Intermediate Similarity	NPC201634
0.7898	Intermediate Similarity	NPC316018
0.7898	Intermediate Similarity	NPC314058
0.7871	Intermediate Similarity	NPC115611
0.787	Intermediate Similarity	NPC474958
0.7862	Intermediate Similarity	NPC37548
0.7857	Intermediate Similarity	NPC314603
0.7857	Intermediate Similarity	NPC313791
0.7853	Intermediate Similarity	NPC475990
0.7853	Intermediate Similarity	NPC474880
0.7853	Intermediate Similarity	NPC221786
0.7849	Intermediate Similarity	NPC19679
0.7848	Intermediate Similarity	NPC316069
0.7834	Intermediate Similarity	NPC242556
0.7824	Intermediate Similarity	NPC59269
0.7821	Intermediate Similarity	NPC229332
0.7818	Intermediate Similarity	NPC472587
0.7812	Intermediate Similarity	NPC40070
0.7811	Intermediate Similarity	NPC293216
0.7809	Intermediate Similarity	NPC157828
0.7809	Intermediate Similarity	NPC195239
0.7805	Intermediate Similarity	NPC131718
0.7799	Intermediate Similarity	NPC470111
0.7785	Intermediate Similarity	NPC204141
0.7778	Intermediate Similarity	NPC38736
0.7771	Intermediate Similarity	NPC17751
0.7771	Intermediate Similarity	NPC280864
0.7771	Intermediate Similarity	NPC20144
0.7765	Intermediate Similarity	NPC11445
0.7755	Intermediate Similarity	NPC46358
0.775	Intermediate Similarity	NPC187951
0.775	Intermediate Similarity	NPC124005
0.7744	Intermediate Similarity	NPC230869
0.7738	Intermediate Similarity	NPC280548
0.7725	Intermediate Similarity	NPC54988
0.7725	Intermediate Similarity	NPC49217
0.7719	Intermediate Similarity	NPC248454
0.7711	Intermediate Similarity	NPC149265
0.7697	Intermediate Similarity	NPC229173
0.7692	Intermediate Similarity	NPC104483
0.7692	Intermediate Similarity	NPC82331
0.7692	Intermediate Similarity	NPC470498
0.7683	Intermediate Similarity	NPC193740
0.7679	Intermediate Similarity	NPC154293
0.7673	Intermediate Similarity	NPC470440
0.767	Intermediate Similarity	NPC317030
0.7669	Intermediate Similarity	NPC470507
0.7665	Intermediate Similarity	NPC274229
0.7657	Intermediate Similarity	NPC280290
0.7636	Intermediate Similarity	NPC6436
0.763	Intermediate Similarity	NPC477042
0.7622	Intermediate Similarity	NPC285469
0.7616	Intermediate Similarity	NPC284775
0.7614	Intermediate Similarity	NPC94752
0.7605	Intermediate Similarity	NPC102423
0.76	Intermediate Similarity	NPC228835
0.7586	Intermediate Similarity	NPC470677
0.7586	Intermediate Similarity	NPC233936
0.7584	Intermediate Similarity	NPC27740
0.7582	Intermediate Similarity	NPC265576
0.7576	Intermediate Similarity	NPC167635
0.7576	Intermediate Similarity	NPC129721
0.7572	Intermediate Similarity	NPC11126
0.7571	Intermediate Similarity	NPC204565
0.7562	Intermediate Similarity	NPC285731
0.7561	Intermediate Similarity	NPC476219
0.7557	Intermediate Similarity	NPC476319
0.7557	Intermediate Similarity	NPC308931
0.7557	Intermediate Similarity	NPC99939
0.7557	Intermediate Similarity	NPC15102
0.7554	Intermediate Similarity	NPC300183
0.7545	Intermediate Similarity	NPC225018
0.7545	Intermediate Similarity	NPC16667
0.7543	Intermediate Similarity	NPC163055
0.7532	Intermediate Similarity	NPC284635

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC286427 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	362
0.1-0.2	748
0.2-0.3	1159
0.3-0.4	1947
0.4-0.5	2287
0.5-0.6	1665
0.6-0.7	769
0.7-0.8	177
0.8-0.85	29
0.85-0.9	17
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9216	High Similarity	NPD3323	Discontinued
0.8924	High Similarity	NPD3610	Approved
0.8924	High Similarity	NPD3609	Approved
0.8912	High Similarity	NPD1722	Approved
0.8904	High Similarity	NPD786	Approved
0.8874	High Similarity	NPD2172	Phase 1
0.8828	High Similarity	NPD198	Clinical (unspecified phase)
0.8808	High Similarity	NPD4374	Clinical (unspecified phase)
0.8808	High Similarity	NPD3100	Discontinued
0.8792	High Similarity	NPD5254	Discontinued
0.8704	High Similarity	NPD4181	Approved
0.8642	High Similarity	NPD4075	Phase 2
0.8589	High Similarity	NPD3506	Approved
0.8589	High Similarity	NPD3505	Approved
0.858	High Similarity	NPD4128	Approved
0.8562	High Similarity	NPD4779	Clinical (unspecified phase)
0.8537	High Similarity	NPD4076	Approved
0.8537	High Similarity	NPD4079	Approved
0.8467	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.8438	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.8397	Intermediate Similarity	NPD2837	Discontinued
0.8313	Intermediate Similarity	NPD5315	Discontinued
0.8313	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.8294	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.8291	Intermediate Similarity	NPD2580	Discontinued
0.8221	Intermediate Similarity	NPD2640	Approved
0.8221	Intermediate Similarity	NPD2641	Approved
0.8187	Intermediate Similarity	NPD3961	Discontinued
0.8144	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.8137	Intermediate Similarity	NPD1404	Approved
0.8137	Intermediate Similarity	NPD1403	Approved
0.8118	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.8117	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.811	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD1683	Approved
0.8072	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD2642	Approved
0.8049	Intermediate Similarity	NPD2639	Approved
0.8047	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.8038	Intermediate Similarity	NPD4463	Approved
0.8038	Intermediate Similarity	NPD4462	Approved
0.8026	Intermediate Similarity	NPD1262	Discovery
0.8025	Intermediate Similarity	NPD4547	Phase 3
0.8	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD4640	Approved
0.8	Intermediate Similarity	NPD4639	Approved
0.8	Intermediate Similarity	NPD4638	Approved
0.7987	Intermediate Similarity	NPD3475	Approved
0.7987	Intermediate Similarity	NPD3476	Approved
0.7977	Intermediate Similarity	NPD8431	Approved
0.7966	Intermediate Similarity	NPD2960	Clinical (unspecified phase)
0.7952	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.7947	Intermediate Similarity	NPD4030	Approved
0.7947	Intermediate Similarity	NPD4029	Approved
0.7947	Intermediate Similarity	NPD3385	Approved
0.7947	Intermediate Similarity	NPD4028	Approved
0.7921	Intermediate Similarity	NPD6664	Approved
0.7919	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7917	Intermediate Similarity	NPD5065	Approved
0.7905	Intermediate Similarity	NPD2118	Approved
0.7905	Intermediate Similarity	NPD2119	Approved
0.7888	Intermediate Similarity	NPD977	Approved
0.7888	Intermediate Similarity	NPD975	Approved
0.7888	Intermediate Similarity	NPD976	Approved
0.7886	Intermediate Similarity	NPD5145	Clinical (unspecified phase)
0.787	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7834	Intermediate Similarity	NPD1918	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD3944	Approved
0.7829	Intermediate Similarity	NPD3942	Approved
0.78	Intermediate Similarity	NPD3654	Approved
0.7791	Intermediate Similarity	NPD1895	Discontinued
0.7785	Intermediate Similarity	NPD992	Clinical (unspecified phase)
0.7785	Intermediate Similarity	NPD991	Phase 2
0.7784	Intermediate Similarity	NPD5021	Discontinued
0.7778	Intermediate Similarity	NPD4880	Discontinued
0.7771	Intermediate Similarity	NPD2007	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD2006	Phase 2
0.7771	Intermediate Similarity	NPD2310	Clinical (unspecified phase)
0.7759	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.775	Intermediate Similarity	NPD2430	Phase 2
0.7746	Intermediate Similarity	NPD5105	Approved
0.7746	Intermediate Similarity	NPD5106	Approved
0.7738	Intermediate Similarity	NPD5436	Phase 1
0.7733	Intermediate Similarity	NPD6595	Phase 3
0.773	Intermediate Similarity	NPD2748	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD2144	Approved
0.7714	Intermediate Similarity	NPD6217	Discontinued
0.7688	Intermediate Similarity	NPD3038	Discontinued
0.7677	Intermediate Similarity	NPD45	Approved
0.7677	Intermediate Similarity	NPD6554	Approved
0.7622	Intermediate Similarity	NPD2150	Discontinued
0.7605	Intermediate Similarity	NPD3583	Phase 2
0.7576	Intermediate Similarity	NPD2865	Clinical (unspecified phase)
0.7571	Intermediate Similarity	NPD5590	Clinical (unspecified phase)
0.7561	Intermediate Similarity	NPD2165	Phase 1
0.7543	Intermediate Similarity	NPD1332	Clinical (unspecified phase)
0.7543	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.7542	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7528	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD3112	Approved
0.7515	Intermediate Similarity	NPD3115	Approved
0.7515	Intermediate Similarity	NPD3114	Approved
0.7515	Intermediate Similarity	NPD3113	Approved
0.7514	Intermediate Similarity	NPD7619	Phase 3
0.7514	Intermediate Similarity	NPD7618	Phase 3
0.75	Intermediate Similarity	NPD3339	Approved
0.7486	Intermediate Similarity	NPD1707	Approved
0.7486	Intermediate Similarity	NPD1708	Approved
0.7485	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7471	Intermediate Similarity	NPD1327	Discontinued
0.747	Intermediate Similarity	NPD1192	Clinical (unspecified phase)
0.7457	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD3318	Approved
0.7443	Intermediate Similarity	NPD3320	Approved
0.7443	Intermediate Similarity	NPD3319	Phase 1
0.744	Intermediate Similarity	NPD2385	Clinical (unspecified phase)
0.7439	Intermediate Similarity	NPD4641	Discontinued
0.7427	Intermediate Similarity	NPD1326	Approved
0.7427	Intermediate Similarity	NPD1325	Approved
0.7412	Intermediate Similarity	NPD1248	Discontinued
0.741	Intermediate Similarity	NPD473	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD3799	Suspended
0.7399	Intermediate Similarity	NPD482	Approved
0.7389	Intermediate Similarity	NPD1256	Approved
0.7389	Intermediate Similarity	NPD1255	Approved
0.7389	Intermediate Similarity	NPD6281	Approved
0.7389	Intermediate Similarity	NPD1254	Approved
0.7389	Intermediate Similarity	NPD1253	Approved
0.7386	Intermediate Similarity	NPD4649	Clinical (unspecified phase)
0.7377	Intermediate Similarity	NPD6278	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD9583	Approved
0.7368	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD4703	Approved
0.7362	Intermediate Similarity	NPD4702	Approved
0.7358	Intermediate Similarity	NPD2075	Approved
0.7358	Intermediate Similarity	NPD2070	Approved
0.7358	Intermediate Similarity	NPD2072	Approved
0.7358	Intermediate Similarity	NPD2071	Approved
0.7358	Intermediate Similarity	NPD2073	Approved
0.7358	Intermediate Similarity	NPD2074	Approved
0.7358	Intermediate Similarity	NPD768	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD2068	Approved
0.7358	Intermediate Similarity	NPD2069	Approved
0.7348	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7345	Intermediate Similarity	NPD2094	Phase 2
0.7345	Intermediate Similarity	NPD2092	Phase 2
0.7345	Intermediate Similarity	NPD2095	Phase 2
0.7329	Intermediate Similarity	NPD4047	Discontinued
0.7303	Intermediate Similarity	NPD2091	Phase 2
0.7303	Intermediate Similarity	NPD2096	Phase 2
0.7301	Intermediate Similarity	NPD1528	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD715	Phase 3
0.7283	Intermediate Similarity	NPD6828	Phase 2
0.7283	Intermediate Similarity	NPD6827	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD6454	Clinical (unspecified phase)
0.7277	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD270	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD268	Approved
0.7267	Intermediate Similarity	NPD271	Approved
0.7251	Intermediate Similarity	NPD4550	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD1251	Discontinued
0.7237	Intermediate Similarity	NPD9357	Approved
0.7232	Intermediate Similarity	NPD2479	Phase 3
0.7232	Intermediate Similarity	NPD2481	Approved
0.723	Intermediate Similarity	NPD9392	Approved
0.723	Intermediate Similarity	NPD9396	Approved
0.7228	Intermediate Similarity	NPD7024	Clinical (unspecified phase)
0.7226	Intermediate Similarity	NPD947	Approved
0.7219	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7216	Intermediate Similarity	NPD7111	Discontinued
0.7213	Intermediate Similarity	NPD3404	Approved
0.7211	Intermediate Similarity	NPD269	Clinical (unspecified phase)
0.7208	Intermediate Similarity	NPD1598	Discontinued
0.7207	Intermediate Similarity	NPD7564	Discontinued
0.7191	Intermediate Similarity	NPD5806	Clinical (unspecified phase)
0.7182	Intermediate Similarity	NPD7394	Phase 2
0.7175	Intermediate Similarity	NPD8386	Phase 2
0.7169	Intermediate Similarity	NPD1029	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD1030	Approved
0.7169	Intermediate Similarity	NPD1027	Approved
0.7167	Intermediate Similarity	NPD1227	Phase 2
0.7159	Intermediate Similarity	NPD3348	Phase 2
0.7151	Intermediate Similarity	NPD7948	Phase 1
0.7143	Intermediate Similarity	NPD750	Phase 2
0.7135	Intermediate Similarity	NPD6771	Discontinued
0.7135	Intermediate Similarity	NPD5473	Discontinued
0.7134	Intermediate Similarity	NPD803	Phase 1
0.7128	Intermediate Similarity	NPD8094	Discontinued
0.7127	Intermediate Similarity	NPD2793	Discontinued
0.712	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.712	Intermediate Similarity	NPD4922	Phase 2
0.712	Intermediate Similarity	NPD7957	Phase 1
0.712	Intermediate Similarity	NPD4615	Phase 2
0.7117	Intermediate Similarity	NPD4510	Discontinued
0.7104	Intermediate Similarity	NPD6133	Discontinued
0.7101	Intermediate Similarity	NPD6026	Approved
0.7091	Intermediate Similarity	NPD7469	Discontinued
0.7086	Intermediate Similarity	NPD3116	Approved
0.7086	Intermediate Similarity	NPD3117	Approved

Structure

NPC286427 OpenBabel07101719242D 23 26 0 0 1 0 0 0 0 0999 V2000 1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -2.2757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 -2.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 2.4066 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 -1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 -1.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5382 -0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -1.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.8131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 0.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8369 -1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 -0.8131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6576 0.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8069 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 0.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 -1.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7042 1.4066 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4205 1.3576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 20 1 0 0 0 0 3 20 1 0 0 0 0 5 22 3 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 15 10 1 6 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 18 19 2 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 4 1 6 0 0 0 M CHG 2 5 -1 22 1 M END $$$$

External Identifiers

PubChem CID	66553680
ChEMBL	CHEMBL2071355
ZINC

Physicochemical Properties

Molecular Weight:	302.18
ALogP:	0.0421
MLogP:	3.55
XLogP:	5.316
# Rotatable Bonds:	4
Polar Surface Area:	20.15
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	23

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