NPASS Natural Product

Natural Product: NPC213468

Natural Product ID:	NPC213468
Common Name:	Suaveolindole
IUPAC Name:	3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoic acid
Synonyms:	Suaveolindole
Molecular Formula:	C23H31NO2
Standard InCHIKey:	GVPCTDRGYRLXLX-AYPBNUJASA-N
Standard InCHI:	InChI=1S/C23H31NO2/c1-15(2)18-10-9-16(3)23(4,20(18)11-12-22(25)26)13-17-14-24-21-8-6-5-7-19(17)21/h5-8,14,16,20,24H,9-13H2,1-4H3,(H,25,26)/t16-,20-,23-/m1/s1
Canonical SMILES:	OC(=O)CC[C@@H]1C(=C(C)C)CC[C@H]([C@@]1(C)Cc1c[nH]c2c1cccc2)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
NPO22519	Greenwayodendron suaveolens	Species	Annonaceae	Eukaryota	fruit			PMID[15679334]

Biological Activity

Activity Type	# Activity
MIC	6

Activity Type	# Activity
Organism	6

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	=	4	ug/ml	15679334
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	8	ug/ml	15679334
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	>	32	ug/ml	15679334
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	128	ug/ml	15679334
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	>	128	ug/ml	15679334

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 NPC213468 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	203
0.1-0.2	1054
0.2-0.3	5339
0.3-0.4	17428
0.4-0.5	3758
0.5-0.6	1256
0.6-0.7	1182
0.7-0.8	532
0.8-0.85	96
0.85-0.9	38
0.9-0.95	3
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9198	High Similarity	NPC78020
0.908	High Similarity	NPC201700
0.9036	High Similarity	NPC267885
0.8976	High Similarity	NPC110500
0.8976	High Similarity	NPC203468
0.8976	High Similarity	NPC149155
0.8929	High Similarity	NPC248041
0.8929	High Similarity	NPC126709
0.8844	High Similarity	NPC321708
0.8837	High Similarity	NPC235684
0.8817	High Similarity	NPC283219
0.8817	High Similarity	NPC55772
0.8757	High Similarity	NPC11445
0.8757	High Similarity	NPC14113
0.8757	High Similarity	NPC145885
0.8757	High Similarity	NPC151939
0.8757	High Similarity	NPC84827
0.8757	High Similarity	NPC111275
0.8701	High Similarity	NPC157828
0.8701	High Similarity	NPC195239
0.8696	High Similarity	NPC469765
0.8696	High Similarity	NPC469763
0.8696	High Similarity	NPC73952
0.8696	High Similarity	NPC469786
0.8696	High Similarity	NPC25008
0.8696	High Similarity	NPC469760
0.8696	High Similarity	NPC259644
0.8675	High Similarity	NPC474561
0.8675	High Similarity	NPC49954
0.8655	High Similarity	NPC300688
0.8642	High Similarity	NPC211572
0.8642	High Similarity	NPC75540
0.8642	High Similarity	NPC80597
0.8642	High Similarity	NPC70922
0.8642	High Similarity	NPC212376
0.8563	High Similarity	NPC160105
0.8537	High Similarity	NPC469762
0.8514	High Similarity	NPC94752
0.8514	High Similarity	NPC315555
0.8512	High Similarity	NPC63751
0.8506	High Similarity	NPC228835
0.8497	Intermediate Similarity	NPC71037
0.8494	Intermediate Similarity	NPC282231
0.8483	Intermediate Similarity	NPC47190
0.8476	Intermediate Similarity	NPC469785
0.8443	Intermediate Similarity	NPC194640
0.8443	Intermediate Similarity	NPC311276
0.8438	Intermediate Similarity	NPC314372
0.8434	Intermediate Similarity	NPC279918
0.8415	Intermediate Similarity	NPC300183
0.8409	Intermediate Similarity	NPC62749
0.8398	Intermediate Similarity	NPC272483
0.837	Intermediate Similarity	NPC476874
0.8363	Intermediate Similarity	NPC314603
0.8361	Intermediate Similarity	NPC252338
0.8333	Intermediate Similarity	NPC40779
0.8324	Intermediate Similarity	NPC98715
0.8313	Intermediate Similarity	NPC190296
0.8297	Intermediate Similarity	NPC227582
0.8297	Intermediate Similarity	NPC262898
0.8276	Intermediate Similarity	NPC11126
0.8276	Intermediate Similarity	NPC219336
0.8258	Intermediate Similarity	NPC278434
0.8249	Intermediate Similarity	NPC280290
0.8246	Intermediate Similarity	NPC194411
0.8245	Intermediate Similarity	NPC258062
0.8245	Intermediate Similarity	NPC127677
0.8242	Intermediate Similarity	NPC179701
0.8235	Intermediate Similarity	NPC54988
0.8232	Intermediate Similarity	NPC105818
0.8232	Intermediate Similarity	NPC24678
0.8218	Intermediate Similarity	NPC217372
0.8218	Intermediate Similarity	NPC59269
0.8218	Intermediate Similarity	NPC183662
0.8218	Intermediate Similarity	NPC248454
0.8218	Intermediate Similarity	NPC15573
0.8212	Intermediate Similarity	NPC213629
0.8208	Intermediate Similarity	NPC469938
0.8204	Intermediate Similarity	NPC286427
0.8201	Intermediate Similarity	NPC271862
0.8191	Intermediate Similarity	NPC225821
0.8191	Intermediate Similarity	NPC46225
0.8182	Intermediate Similarity	NPC473376
0.8167	Intermediate Similarity	NPC329858
0.8167	Intermediate Similarity	NPC83111
0.8156	Intermediate Similarity	NPC317030
0.8156	Intermediate Similarity	NPC17059
0.8155	Intermediate Similarity	NPC230869
0.8155	Intermediate Similarity	NPC41257
0.8144	Intermediate Similarity	NPC285469
0.8136	Intermediate Similarity	NPC469358
0.8114	Intermediate Similarity	NPC68354
0.8108	Intermediate Similarity	NPC293917
0.8107	Intermediate Similarity	NPC131718
0.8105	Intermediate Similarity	NPC478158
0.8103	Intermediate Similarity	NPC275305
0.8103	Intermediate Similarity	NPC37423
0.8101	Intermediate Similarity	NPC99428
0.8098	Intermediate Similarity	NPC159856
0.8092	Intermediate Similarity	NPC6982
0.809	Intermediate Similarity	NPC165495
0.8087	Intermediate Similarity	NPC181502
0.8087	Intermediate Similarity	NPC85066
0.8079	Intermediate Similarity	NPC233936
0.8075	Intermediate Similarity	NPC469784
0.8075	Intermediate Similarity	NPC469779
0.8075	Intermediate Similarity	NPC469768
0.8075	Intermediate Similarity	NPC469780
0.8075	Intermediate Similarity	NPC469767
0.8075	Intermediate Similarity	NPC469761
0.8075	Intermediate Similarity	NPC476073
0.8075	Intermediate Similarity	NPC469783
0.8068	Intermediate Similarity	NPC248462
0.8066	Intermediate Similarity	NPC95783
0.8066	Intermediate Similarity	NPC314333
0.8059	Intermediate Similarity	NPC16667
0.8056	Intermediate Similarity	NPC204565
0.805	Intermediate Similarity	NPC261195
0.805	Intermediate Similarity	NPC29886
0.8047	Intermediate Similarity	NPC92796
0.8047	Intermediate Similarity	NPC135141
0.8041	Intermediate Similarity	NPC204491
0.8041	Intermediate Similarity	NPC203614
0.8034	Intermediate Similarity	NPC163055
0.8033	Intermediate Similarity	NPC267343
0.8025	Intermediate Similarity	NPC469766
0.8023	Intermediate Similarity	NPC469896
0.8022	Intermediate Similarity	NPC138370
0.8012	Intermediate Similarity	NPC53947
0.8012	Intermediate Similarity	NPC102423
0.8012	Intermediate Similarity	NPC73767
0.8011	Intermediate Similarity	NPC175474
0.8011	Intermediate Similarity	NPC64436
0.8011	Intermediate Similarity	NPC65215
0.8011	Intermediate Similarity	NPC173028
0.8	Intermediate Similarity	NPC84911
0.8	Intermediate Similarity	NPC471957
0.799	Intermediate Similarity	NPC235885
0.7979	Intermediate Similarity	NPC75634
0.7979	Intermediate Similarity	NPC193761
0.7979	Intermediate Similarity	NPC207020
0.7979	Intermediate Similarity	NPC151976
0.7979	Intermediate Similarity	NPC260900
0.7979	Intermediate Similarity	NPC87856
0.7976	Intermediate Similarity	NPC207726
0.7968	Intermediate Similarity	NPC213308
0.7968	Intermediate Similarity	NPC313985
0.7968	Intermediate Similarity	NPC49196
0.7968	Intermediate Similarity	NPC315491
0.7968	Intermediate Similarity	NPC45459
0.7968	Intermediate Similarity	NPC195461
0.7968	Intermediate Similarity	NPC81654
0.7968	Intermediate Similarity	NPC249150
0.7968	Intermediate Similarity	NPC79129
0.7967	Intermediate Similarity	NPC154339
0.7966	Intermediate Similarity	NPC176199
0.7966	Intermediate Similarity	NPC215795
0.7957	Intermediate Similarity	NPC50503
0.7957	Intermediate Similarity	NPC477041
0.7957	Intermediate Similarity	NPC131887
0.7957	Intermediate Similarity	NPC67288
0.7957	Intermediate Similarity	NPC52557
0.7957	Intermediate Similarity	NPC477044
0.7957	Intermediate Similarity	NPC171317
0.7949	Intermediate Similarity	NPC132211
0.7943	Intermediate Similarity	NPC313791
0.7943	Intermediate Similarity	NPC477976
0.7941	Intermediate Similarity	NPC206819
0.7941	Intermediate Similarity	NPC318065
0.7941	Intermediate Similarity	NPC56765
0.7938	Intermediate Similarity	NPC267965
0.7937	Intermediate Similarity	NPC96102
0.7935	Intermediate Similarity	NPC88315
0.7931	Intermediate Similarity	NPC280548
0.7929	Intermediate Similarity	NPC2395
0.7914	Intermediate Similarity	NPC74413
0.7914	Intermediate Similarity	NPC477045
0.791	Intermediate Similarity	NPC284775
0.7906	Intermediate Similarity	NPC54420
0.7903	Intermediate Similarity	NPC156704
0.7903	Intermediate Similarity	NPC229332
0.7901	Intermediate Similarity	NPC474707
0.7901	Intermediate Similarity	NPC110126
0.7898	Intermediate Similarity	NPC293216
0.7897	Intermediate Similarity	NPC313640
0.7897	Intermediate Similarity	NPC478157
0.7888	Intermediate Similarity	NPC105127
0.7884	Intermediate Similarity	NPC474116
0.7882	Intermediate Similarity	NPC129721
0.788	Intermediate Similarity	NPC55493
0.7876	Intermediate Similarity	NPC234999
0.7874	Intermediate Similarity	NPC154293
0.7869	Intermediate Similarity	NPC206967
0.7868	Intermediate Similarity	NPC281049
0.7868	Intermediate Similarity	NPC477714
0.7861	Intermediate Similarity	NPC42372
0.7846	Intermediate Similarity	NPC54744
0.7844	Intermediate Similarity	NPC37548
0.7838	Intermediate Similarity	NPC474177
0.7836	Intermediate Similarity	NPC67056

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC213468 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	156
0.1-0.2	471
0.2-0.3	777
0.3-0.4	1510
0.4-0.5	2665
0.5-0.6	2222
0.6-0.7	1060
0.7-0.8	254
0.8-0.85	37
0.85-0.9	7
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9107	High Similarity	NPD5728	Clinical (unspecified phase)
0.9036	High Similarity	NPD749	Clinical (unspecified phase)
0.8976	High Similarity	NPD482	Approved
0.8882	High Similarity	NPD2092	Phase 2
0.8882	High Similarity	NPD2094	Phase 2
0.8882	High Similarity	NPD2095	Phase 2
0.883	High Similarity	NPD2091	Phase 2
0.883	High Similarity	NPD2096	Phase 2
0.869	High Similarity	NPD750	Phase 2
0.8462	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.8427	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.828	Intermediate Similarity	NPD5901	Discontinued
0.8254	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.8229	Intermediate Similarity	NPD6595	Phase 3
0.8171	Intermediate Similarity	NPD4079	Approved
0.8171	Intermediate Similarity	NPD4076	Approved
0.8158	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.8156	Intermediate Similarity	NPD8431	Approved
0.8138	Intermediate Similarity	NPD7957	Phase 1
0.8138	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.8128	Intermediate Similarity	NPD8072	Approved
0.8115	Intermediate Similarity	NPD7470	Discontinued
0.8115	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.8114	Intermediate Similarity	NPD2144	Approved
0.8114	Intermediate Similarity	NPD3505	Approved
0.8114	Intermediate Similarity	NPD3506	Approved
0.8108	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.8103	Intermediate Similarity	NPD5065	Approved
0.809	Intermediate Similarity	NPD6178	Phase 3
0.809	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.8087	Intermediate Similarity	NPD7618	Phase 3
0.8087	Intermediate Similarity	NPD7619	Phase 3
0.8085	Intermediate Similarity	NPD5426	Phase 3
0.8083	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.8079	Intermediate Similarity	NPD3038	Discontinued
0.8075	Intermediate Similarity	NPD8073	Approved
0.8066	Intermediate Similarity	NPD4499	Approved
0.8057	Intermediate Similarity	NPD4075	Phase 2
0.8045	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD1722	Approved
0.8012	Intermediate Similarity	NPD786	Approved
0.8012	Intermediate Similarity	NPD2172	Phase 1
0.8011	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.8011	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD6664	Approved
0.7978	Intermediate Similarity	NPD4383	Clinical (unspecified phase)
0.7968	Intermediate Similarity	NPD4600	Approved
0.7968	Intermediate Similarity	NPD4601	Approved
0.7968	Intermediate Similarity	NPD484	Approved
0.7952	Intermediate Similarity	NPD3100	Discontinued
0.795	Intermediate Similarity	NPD2896	Discontinued
0.7937	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7926	Intermediate Similarity	NPD7903	Clinical (unspecified phase)
0.7901	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7884	Intermediate Similarity	NPD5721	Clinical (unspecified phase)
0.7874	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7874	Intermediate Similarity	NPD2844	Phase 3
0.7872	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.7865	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7861	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD3961	Discontinued
0.7849	Intermediate Similarity	NPD7818	Clinical (unspecified phase)
0.7846	Intermediate Similarity	NPD8094	Discontinued
0.7844	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7833	Intermediate Similarity	NPD4345	Clinical (unspecified phase)
0.7814	Intermediate Similarity	NPD7234	Approved
0.7814	Intermediate Similarity	NPD7233	Approved
0.7812	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7812	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7809	Intermediate Similarity	NPD4181	Approved
0.7803	Intermediate Similarity	NPD3323	Discontinued
0.7798	Intermediate Similarity	NPD4462	Approved
0.7798	Intermediate Similarity	NPD4463	Approved
0.7797	Intermediate Similarity	NPD4128	Approved
0.7795	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7795	Intermediate Similarity	NPD8093	Discontinued
0.7778	Intermediate Similarity	NPD3178	Discontinued
0.7765	Intermediate Similarity	NPD5257	Clinical (unspecified phase)
0.776	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7753	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7749	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD1325	Approved
0.7727	Intermediate Similarity	NPD1326	Approved
0.7725	Intermediate Similarity	NPD6661	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD276	Clinical (unspecified phase)
0.7708	Intermediate Similarity	NPD6987	Phase 1
0.7684	Intermediate Similarity	NPD6479	Discontinued
0.768	Intermediate Similarity	NPD2509	Approved
0.768	Intermediate Similarity	NPD2510	Approved
0.7679	Intermediate Similarity	NPD4702	Approved
0.7679	Intermediate Similarity	NPD4703	Approved
0.767	Intermediate Similarity	NPD4638	Approved
0.767	Intermediate Similarity	NPD4639	Approved
0.767	Intermediate Similarity	NPD2641	Approved
0.767	Intermediate Similarity	NPD4640	Approved
0.767	Intermediate Similarity	NPD2640	Approved
0.7667	Intermediate Similarity	NPD8386	Phase 2
0.7622	Intermediate Similarity	NPD1534	Approved
0.7619	Intermediate Similarity	NPD5003	Discontinued
0.7617	Intermediate Similarity	NPD8272	Phase 2
0.7614	Intermediate Similarity	NPD5611	Phase 2
0.7606	Intermediate Similarity	NPD7944	Discontinued
0.7602	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.76	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD1403	Approved
0.7586	Intermediate Similarity	NPD1404	Approved
0.7584	Intermediate Similarity	NPD3609	Approved
0.7584	Intermediate Similarity	NPD3610	Approved
0.7568	Intermediate Similarity	NPD4948	Discontinued
0.7565	Intermediate Similarity	NPD6176	Phase 1
0.7553	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD5818	Discontinued
0.753	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7527	Intermediate Similarity	NPD5898	Approved
0.7527	Intermediate Similarity	NPD5897	Approved
0.7527	Intermediate Similarity	NPD5899	Approved
0.7526	Intermediate Similarity	NPD7948	Phase 1
0.7514	Intermediate Similarity	NPD2639	Approved
0.7514	Intermediate Similarity	NPD2642	Approved
0.7513	Intermediate Similarity	NPD7187	Phase 2
0.75	Intermediate Similarity	NPD5254	Discontinued
0.75	Intermediate Similarity	NPD5043	Discontinued
0.75	Intermediate Similarity	NPD3394	Approved
0.75	Intermediate Similarity	NPD3583	Phase 2
0.75	Intermediate Similarity	NPD3389	Approved
0.75	Intermediate Similarity	NPD2837	Discontinued
0.75	Intermediate Similarity	NPD3393	Approved
0.7488	Intermediate Similarity	NPD7824	Approved
0.7487	Intermediate Similarity	NPD6846	Clinical (unspecified phase)
0.7486	Intermediate Similarity	NPD6454	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7459	Intermediate Similarity	NPD5471	Phase 3
0.7457	Intermediate Similarity	NPD2809	Approved
0.745	Intermediate Similarity	NPD7970	Approved
0.745	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD6999	Discontinued
0.7448	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7447	Intermediate Similarity	NPD4918	Discontinued
0.7444	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7432	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD5975	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD6217	Discontinued
0.7407	Intermediate Similarity	NPD3404	Approved
0.7407	Intermediate Similarity	NPD5505	Discontinued
0.7405	Intermediate Similarity	NPD7564	Discontinued
0.7401	Intermediate Similarity	NPD6635	Approved
0.7394	Intermediate Similarity	NPD2564	Approved
0.7394	Intermediate Similarity	NPD2565	Phase 2
0.7391	Intermediate Similarity	NPD7730	Approved
0.7391	Intermediate Similarity	NPD7731	Approved
0.7389	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD2511	Approved
0.7381	Intermediate Similarity	NPD7950	Approved
0.7381	Intermediate Similarity	NPD7790	Approved
0.7381	Intermediate Similarity	NPD7789	Approved
0.7381	Intermediate Similarity	NPD7953	Approved
0.7381	Intermediate Similarity	NPD7952	Approved
0.7381	Intermediate Similarity	NPD7791	Approved
0.7381	Intermediate Similarity	NPD7951	Approved
0.7379	Intermediate Similarity	NPD7271	Approved
0.7374	Intermediate Similarity	NPD5021	Discontinued
0.7371	Intermediate Similarity	NPD4326	Phase 2
0.7368	Intermediate Similarity	NPD1038	Approved
0.7351	Intermediate Similarity	NPD3319	Phase 1
0.7351	Intermediate Similarity	NPD3320	Approved
0.7351	Intermediate Similarity	NPD3318	Approved
0.7337	Intermediate Similarity	NPD3717	Discontinued
0.7337	Intermediate Similarity	NPD5473	Discontinued
0.733	Intermediate Similarity	NPD4427	Phase 2
0.732	Intermediate Similarity	NPD4500	Approved
0.732	Intermediate Similarity	NPD2305	Discontinued
0.732	Intermediate Similarity	NPD4501	Approved
0.7318	Intermediate Similarity	NPD4554	Clinical (unspecified phase)
0.7314	Intermediate Similarity	NPD6026	Approved
0.7314	Intermediate Similarity	NPD2580	Discontinued
0.7308	Intermediate Similarity	NPD5322	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD6281	Approved
0.7294	Intermediate Similarity	NPD751	Clinical (unspecified phase)
0.7293	Intermediate Similarity	NPD5472	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD1592	Phase 3
0.7273	Intermediate Similarity	NPD7781	Approved
0.7273	Intermediate Similarity	NPD7780	Approved
0.7268	Intermediate Similarity	NPD5100	Phase 3
0.726	Intermediate Similarity	NPD7603	Discontinued
0.7259	Intermediate Similarity	NPD6323	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD5213	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD5105	Approved
0.7258	Intermediate Similarity	NPD5106	Approved
0.7243	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD4602	Approved
0.7235	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7228	Intermediate Similarity	NPD7865	Approved
0.7225	Intermediate Similarity	NPD6665	Discontinued
0.7225	Intermediate Similarity	NPD4922	Phase 2
0.7222	Intermediate Similarity	NPD7010	Phase 3

Structure

CID213468 OpenBabel06191716002D 26 28 0 0 1 0 0 0 0 0999 V2000 2.4076 -4.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 -4.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5381 -0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 -2.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2504 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 -2.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 -0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1397 -2.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6756 -2.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -4.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -1.3900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7346 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 -1.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -2.8900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7071 -0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -3.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 -1.8900 0.0000 C 0 0 1 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 -1.0565 -2.8900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -4.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 7 19 2 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 22 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 18 2 0 0 0 0 16 23 1 6 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 23 1 1 0 0 0 21 24 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 4 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	11199009
ChEMBL	CHEMBL523894
ZINC

Physicochemical Properties

Molecular Weight:	353.24
ALogP:	2.0397
MLogP:	3.66
XLogP:	6.634
# Rotatable Bonds:	10
Polar Surface Area:	53.09
# H-Bond Aceptor:	3
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	26

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