NPASS Natural Product

Natural Product: NPC15102

Natural Product ID:	NPC15102
Common Name:	(3S,5R)-3,5-Bis(1H-Indol-3-Yl)Piperazin-2-One
IUPAC Name:	(3S,5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
Synonyms:
Molecular Formula:	C20H18N4O
Standard InCHIKey:	ATXAEACKVOFPLU-OALUTQOASA-N
Standard InCHI:	InChI=1S/C20H18N4O/c25-20-19(15-10-22-17-8-4-2-6-13(15)17)24-18(11-23-20)14-9-21-16-7-3-1-5-12(14)16/h1-10,18-19,21-22,24H,11H2,(H,23,25)/t18-,19-/m0/s1
Canonical SMILES:	OC1=NC[C@H](N[C@H]1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
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
NPO32581	spongosorites sp.	Species	Halichondriidae	Eukaryota				PMID[17253840]

Biological Activity

Activity Type	# Activity
ED50	5

Activity Type	# Activity
Cell Line	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT146	Cell Line	SK-OV-3	Homo sapiens	ED50	=	9.64	ug/ml	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	ED50	>	10	ug/ml	PubChem BioAssay data set
NPT574	Cell Line	XF498	Homo sapiens	ED50	>	10	ug/ml	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	ED50	>	10	ug/ml	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	ED50	>	10	ug/ml	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 NPC15102 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	432
0.1-0.2	3173
0.2-0.3	12790
0.3-0.4	9698
0.4-0.5	2003
0.5-0.6	1269
0.6-0.7	867
0.7-0.8	570
0.8-0.85	67
0.85-0.9	11
0.9-0.95	9
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9398	High Similarity	NPC59269
0.9266	High Similarity	NPC205254
0.9266	High Similarity	NPC23420
0.9266	High Similarity	NPC106771
0.9266	High Similarity	NPC303820
0.9213	High Similarity	NPC94211
0.9213	High Similarity	NPC52909
0.9213	High Similarity	NPC475935
0.9036	High Similarity	NPC63751
0.875	High Similarity	NPC49954
0.875	High Similarity	NPC474561
0.8735	High Similarity	NPC279918
0.8683	High Similarity	NPC282231
0.8596	High Similarity	NPC321708
0.8563	High Similarity	NPC230869
0.8563	High Similarity	NPC92796
0.8563	High Similarity	NPC135141
0.8529	High Similarity	NPC160105
0.8529	High Similarity	NPC54988
0.8521	High Similarity	NPC194640
0.8436	Intermediate Similarity	NPC17059
0.8434	Intermediate Similarity	NPC469763
0.8434	Intermediate Similarity	NPC469765
0.8434	Intermediate Similarity	NPC25008
0.8434	Intermediate Similarity	NPC73952
0.8434	Intermediate Similarity	NPC259644
0.8434	Intermediate Similarity	NPC469760
0.8434	Intermediate Similarity	NPC469786
0.8413	Intermediate Similarity	NPC314957
0.8389	Intermediate Similarity	NPC213629
0.8383	Intermediate Similarity	NPC212376
0.8383	Intermediate Similarity	NPC70922
0.8383	Intermediate Similarity	NPC75540
0.8383	Intermediate Similarity	NPC211572
0.8383	Intermediate Similarity	NPC80597
0.8354	Intermediate Similarity	NPC288838
0.8342	Intermediate Similarity	NPC193761
0.8333	Intermediate Similarity	NPC314603
0.8333	Intermediate Similarity	NPC469785
0.8324	Intermediate Similarity	NPC99939
0.8324	Intermediate Similarity	NPC308931
0.8313	Intermediate Similarity	NPC53947
0.8295	Intermediate Similarity	NPC248454
0.8294	Intermediate Similarity	NPC131718
0.8284	Intermediate Similarity	NPC469762
0.8278	Intermediate Similarity	NPC94752
0.8266	Intermediate Similarity	NPC317430
0.8263	Intermediate Similarity	NPC166492
0.8263	Intermediate Similarity	NPC473362
0.8256	Intermediate Similarity	NPC477715
0.8226	Intermediate Similarity	NPC131887
0.8226	Intermediate Similarity	NPC470499
0.8225	Intermediate Similarity	NPC285469
0.8218	Intermediate Similarity	NPC194411
0.8214	Intermediate Similarity	NPC477714
0.8198	Intermediate Similarity	NPC311276
0.8198	Intermediate Similarity	NPC317105
0.8182	Intermediate Similarity	NPC314372
0.8176	Intermediate Similarity	NPC216643
0.8172	Intermediate Similarity	NPC227582
0.8167	Intermediate Similarity	NPC165495
0.8167	Intermediate Similarity	NPC472294
0.8158	Intermediate Similarity	NPC475070
0.8156	Intermediate Similarity	NPC233936
0.8142	Intermediate Similarity	NPC95783
0.8138	Intermediate Similarity	NPC470497
0.8128	Intermediate Similarity	NPC265576
0.8118	Intermediate Similarity	NPC141353
0.8111	Intermediate Similarity	NPC163055
0.8111	Intermediate Similarity	NPC48938
0.8107	Intermediate Similarity	NPC325903
0.8092	Intermediate Similarity	NPC102423
0.809	Intermediate Similarity	NPC68354
0.8085	Intermediate Similarity	NPC293917
0.8085	Intermediate Similarity	NPC100321
0.8079	Intermediate Similarity	NPC37423
0.8079	Intermediate Similarity	NPC275305
0.8066	Intermediate Similarity	NPC228835
0.8061	Intermediate Similarity	NPC478157
0.8061	Intermediate Similarity	NPC190296
0.8057	Intermediate Similarity	NPC201700
0.8054	Intermediate Similarity	NPC324149
0.8053	Intermediate Similarity	NPC476073
0.8042	Intermediate Similarity	NPC252338
0.8035	Intermediate Similarity	NPC16667
0.8032	Intermediate Similarity	NPC171317
0.8032	Intermediate Similarity	NPC473640
0.7989	Intermediate Similarity	NPC151939
0.7989	Intermediate Similarity	NPC111275
0.7988	Intermediate Similarity	NPC24678
0.7988	Intermediate Similarity	NPC105818
0.798	Intermediate Similarity	NPC304926
0.798	Intermediate Similarity	NPC476041
0.7979	Intermediate Similarity	NPC54420
0.7978	Intermediate Similarity	NPC110500
0.7978	Intermediate Similarity	NPC62749
0.7978	Intermediate Similarity	NPC149155
0.7978	Intermediate Similarity	NPC203468
0.797	Intermediate Similarity	NPC250835
0.7964	Intermediate Similarity	NPC159856
0.7959	Intermediate Similarity	NPC31385
0.7959	Intermediate Similarity	NPC75726
0.7959	Intermediate Similarity	NPC110602
0.7959	Intermediate Similarity	NPC75634
0.7957	Intermediate Similarity	NPC477167
0.7957	Intermediate Similarity	NPC473342
0.7957	Intermediate Similarity	NPC99666
0.7956	Intermediate Similarity	NPC71037
0.7953	Intermediate Similarity	NPC207726
0.7949	Intermediate Similarity	NPC5145
0.7944	Intermediate Similarity	NPC126709
0.7944	Intermediate Similarity	NPC283219
0.7944	Intermediate Similarity	NPC11126
0.7944	Intermediate Similarity	NPC248041
0.7937	Intermediate Similarity	NPC67288
0.7935	Intermediate Similarity	NPC317030
0.7933	Intermediate Similarity	NPC280852
0.7933	Intermediate Similarity	NPC267885
0.7923	Intermediate Similarity	NPC188387
0.7923	Intermediate Similarity	NPC163421
0.7921	Intermediate Similarity	NPC313791
0.7919	Intermediate Similarity	NPC477610
0.7908	Intermediate Similarity	NPC72956
0.7906	Intermediate Similarity	NPC475506
0.7901	Intermediate Similarity	NPC91179
0.7897	Intermediate Similarity	NPC478158
0.7897	Intermediate Similarity	NPC162860
0.7886	Intermediate Similarity	NPC40779
0.7884	Intermediate Similarity	NPC77555
0.788	Intermediate Similarity	NPC474707
0.7874	Intermediate Similarity	NPC122141
0.787	Intermediate Similarity	NPC469811
0.7868	Intermediate Similarity	NPC153980
0.7868	Intermediate Similarity	NPC6865
0.7866	Intermediate Similarity	NPC105127
0.7865	Intermediate Similarity	NPC155143
0.7853	Intermediate Similarity	NPC78020
0.785	Intermediate Similarity	NPC473310
0.7845	Intermediate Similarity	NPC215795
0.7845	Intermediate Similarity	NPC176199
0.7838	Intermediate Similarity	NPC204565
0.7835	Intermediate Similarity	NPC475288
0.7831	Intermediate Similarity	NPC469767
0.7831	Intermediate Similarity	NPC469779
0.7831	Intermediate Similarity	NPC469784
0.7831	Intermediate Similarity	NPC469761
0.7831	Intermediate Similarity	NPC469768
0.7831	Intermediate Similarity	NPC242209
0.7831	Intermediate Similarity	NPC469780
0.7831	Intermediate Similarity	NPC469783
0.7824	Intermediate Similarity	NPC321911
0.7821	Intermediate Similarity	NPC472123
0.7821	Intermediate Similarity	NPC477611
0.7817	Intermediate Similarity	NPC82370
0.7816	Intermediate Similarity	NPC475990
0.7816	Intermediate Similarity	NPC206819
0.7816	Intermediate Similarity	NPC318065
0.7816	Intermediate Similarity	NPC67056
0.7814	Intermediate Similarity	NPC220765
0.7811	Intermediate Similarity	NPC143872
0.7811	Intermediate Similarity	NPC63545
0.7809	Intermediate Similarity	NPC280548
0.7806	Intermediate Similarity	NPC476116
0.7805	Intermediate Similarity	NPC96102
0.7802	Intermediate Similarity	NPC300688
0.7801	Intermediate Similarity	NPC74413
0.7796	Intermediate Similarity	NPC65215
0.7796	Intermediate Similarity	NPC173028
0.779	Intermediate Similarity	NPC84827
0.779	Intermediate Similarity	NPC145885
0.779	Intermediate Similarity	NPC14113
0.7789	Intermediate Similarity	NPC232130
0.7784	Intermediate Similarity	NPC235684
0.7784	Intermediate Similarity	NPC171171
0.7784	Intermediate Similarity	NPC473376
0.7784	Intermediate Similarity	NPC469766
0.7778	Intermediate Similarity	NPC471194
0.7778	Intermediate Similarity	NPC195314
0.7778	Intermediate Similarity	NPC189812
0.7778	Intermediate Similarity	NPC329688
0.7778	Intermediate Similarity	NPC471193
0.7772	Intermediate Similarity	NPC260900
0.7772	Intermediate Similarity	NPC204717
0.7772	Intermediate Similarity	NPC284678
0.7771	Intermediate Similarity	NPC110126
0.7771	Intermediate Similarity	NPC73767
0.7766	Intermediate Similarity	NPC477166
0.7766	Intermediate Similarity	NPC304187
0.7765	Intermediate Similarity	NPC179787
0.7765	Intermediate Similarity	NPC471957
0.7765	Intermediate Similarity	NPC201380
0.7759	Intermediate Similarity	NPC129721
0.7758	Intermediate Similarity	NPC84911
0.775	Intermediate Similarity	NPC472027
0.775	Intermediate Similarity	NPC471192
0.775	Intermediate Similarity	NPC251936
0.7747	Intermediate Similarity	NPC213468
0.7742	Intermediate Similarity	NPC46580
0.7739	Intermediate Similarity	NPC473757
0.7734	Intermediate Similarity	NPC471506

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC15102 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	239
0.1-0.2	574
0.2-0.3	1117
0.3-0.4	1435
0.4-0.5	2554
0.5-0.6	1841
0.6-0.7	1129
0.7-0.8	246
0.8-0.85	22
0.85-0.9	4
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.896	High Similarity	NPD6610	Clinical (unspecified phase)
0.8947	High Similarity	NPD6595	Phase 3
0.8941	High Similarity	NPD6203	Clinical (unspecified phase)
0.8605	High Similarity	NPD5065	Approved
0.843	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.8409	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD8431	Approved
0.8253	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.8207	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.8196	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.8187	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.8172	Intermediate Similarity	NPD7948	Phase 1
0.8158	Intermediate Similarity	NPD5426	Phase 3
0.8146	Intermediate Similarity	NPD4079	Approved
0.8146	Intermediate Similarity	NPD4076	Approved
0.8144	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.809	Intermediate Similarity	NPD3506	Approved
0.809	Intermediate Similarity	NPD3505	Approved
0.8085	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.8079	Intermediate Similarity	NPD4128	Approved
0.8073	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.8068	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.8033	Intermediate Similarity	NPD3961	Discontinued
0.8011	Intermediate Similarity	NPD2092	Phase 2
0.8011	Intermediate Similarity	NPD2094	Phase 2
0.8011	Intermediate Similarity	NPD2095	Phase 2
0.7978	Intermediate Similarity	NPD482	Approved
0.7967	Intermediate Similarity	NPD2091	Phase 2
0.7967	Intermediate Similarity	NPD2096	Phase 2
0.7955	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7912	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.791	Intermediate Similarity	NPD1326	Approved
0.791	Intermediate Similarity	NPD1325	Approved
0.7889	Intermediate Similarity	NPD2144	Approved
0.7879	Intermediate Similarity	NPD786	Approved
0.7861	Intermediate Similarity	NPD3404	Approved
0.7838	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7833	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.7831	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7824	Intermediate Similarity	NPD3100	Discontinued
0.7824	Intermediate Similarity	NPD4886	Phase 2
0.7817	Intermediate Similarity	NPD7470	Discontinued
0.7805	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7791	Intermediate Similarity	NPD2837	Discontinued
0.779	Intermediate Similarity	NPD4181	Approved
0.7784	Intermediate Similarity	NPD1722	Approved
0.7784	Intermediate Similarity	NPD5901	Discontinued
0.7784	Intermediate Similarity	NPD706	Phase 1
0.7778	Intermediate Similarity	NPD2172	Phase 1
0.7766	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.776	Intermediate Similarity	NPD3038	Discontinued
0.7755	Intermediate Similarity	NPD7665	Phase 2
0.7755	Intermediate Similarity	NPD7666	Phase 3
0.7742	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7735	Intermediate Similarity	NPD4075	Phase 2
0.7727	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.7708	Intermediate Similarity	NPD6999	Discontinued
0.7708	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.7705	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7688	Intermediate Similarity	NPD6217	Discontinued
0.7688	Intermediate Similarity	NPD8093	Discontinued
0.7684	Intermediate Similarity	NPD7618	Phase 3
0.7684	Intermediate Similarity	NPD7619	Phase 3
0.7673	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7661	Intermediate Similarity	NPD4702	Approved
0.7661	Intermediate Similarity	NPD4703	Approved
0.7654	Intermediate Similarity	NPD4638	Approved
0.7654	Intermediate Similarity	NPD4640	Approved
0.7654	Intermediate Similarity	NPD4639	Approved
0.7653	Intermediate Similarity	NPD7957	Phase 1
0.7653	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.765	Intermediate Similarity	NPD8386	Phase 2
0.7637	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7633	Intermediate Similarity	NPD4637	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD750	Phase 2
0.76	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.759	Intermediate Similarity	NPD8073	Approved
0.7584	Intermediate Similarity	NPD5138	Approved
0.7584	Intermediate Similarity	NPD5140	Approved
0.7584	Intermediate Similarity	NPD3323	Discontinued
0.7576	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7572	Intermediate Similarity	NPD4462	Approved
0.7572	Intermediate Similarity	NPD4463	Approved
0.7565	Intermediate Similarity	NPD3230	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD7001	Phase 3
0.7551	Intermediate Similarity	NPD8072	Approved
0.7548	Intermediate Similarity	NPD6165	Phase 2
0.7548	Intermediate Similarity	NPD6164	Phase 2
0.7542	Intermediate Similarity	NPD5744	Clinical (unspecified phase)
0.7539	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7528	Intermediate Similarity	NPD1853	Clinical (unspecified phase)
0.7513	Intermediate Similarity	NPD8272	Phase 2
0.75	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7711	Discontinued
0.75	Intermediate Similarity	NPD7944	Discontinued
0.7486	Intermediate Similarity	NPD2928	Phase 2
0.7475	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7473	Intermediate Similarity	NPD1895	Discontinued
0.7471	Intermediate Similarity	NPD1592	Phase 3
0.7459	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD7271	Approved
0.7451	Intermediate Similarity	NPD7823	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD6545	Clinical (unspecified phase)
0.7448	Intermediate Similarity	NPD1038	Approved
0.7448	Intermediate Similarity	NPD802	Phase 2
0.7437	Intermediate Similarity	NPD8410	Clinical (unspecified phase)
0.7436	Intermediate Similarity	NPD3814	Phase 1
0.7435	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.743	Intermediate Similarity	NPD8026	Phase 1
0.7429	Intermediate Similarity	NPD6476	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD7781	Approved
0.7429	Intermediate Similarity	NPD6158	Phase 2
0.7429	Intermediate Similarity	NPD7780	Approved
0.7426	Intermediate Similarity	NPD3330	Phase 1
0.7419	Intermediate Similarity	NPD6452	Discontinued
0.7416	Intermediate Similarity	NPD5255	Approved
0.7413	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.7403	Intermediate Similarity	NPD2639	Approved
0.7403	Intermediate Similarity	NPD2642	Approved
0.7402	Intermediate Similarity	NPD5612	Discontinued
0.7398	Intermediate Similarity	NPD484	Approved
0.7389	Intermediate Similarity	NPD8094	Discontinued
0.7384	Intermediate Similarity	NPD3813	Approved
0.7382	Intermediate Similarity	NPD5117	Phase 2
0.7381	Intermediate Similarity	NPD7730	Approved
0.7381	Intermediate Similarity	NPD7731	Approved
0.7363	Intermediate Similarity	NPD5862	Discovery
0.7363	Intermediate Similarity	NPD4779	Clinical (unspecified phase)
0.7363	Intermediate Similarity	NPD5021	Discontinued
0.7363	Intermediate Similarity	NPD2125	Clinical (unspecified phase)
0.7363	Intermediate Similarity	NPD2390	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7353	Intermediate Similarity	NPD7970	Approved
0.735	Intermediate Similarity	NPD8322	Phase 2
0.734	Intermediate Similarity	NPD5106	Approved
0.734	Intermediate Similarity	NPD5105	Approved
0.7333	Intermediate Similarity	NPD7603	Discontinued
0.733	Intermediate Similarity	NPD6965	Clinical (unspecified phase)
0.733	Intermediate Similarity	NPD2882	Phase 1
0.7311	Intermediate Similarity	NPD7824	Approved
0.731	Intermediate Similarity	NPD3943	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD6178	Phase 3
0.73	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD7951	Approved
0.729	Intermediate Similarity	NPD7790	Approved
0.729	Intermediate Similarity	NPD7953	Approved
0.729	Intermediate Similarity	NPD7952	Approved
0.729	Intermediate Similarity	NPD7789	Approved
0.729	Intermediate Similarity	NPD7950	Approved
0.729	Intermediate Similarity	NPD7791	Approved
0.7286	Intermediate Similarity	NPD6976	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD3610	Approved
0.7283	Intermediate Similarity	NPD3609	Approved
0.7282	Intermediate Similarity	NPD6278	Clinical (unspecified phase)
0.7282	Intermediate Similarity	NPD7818	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD4511	Phase 1
0.7268	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD6344	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD7424	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD8396	Approved
0.7259	Intermediate Similarity	NPD8395	Approved
0.7258	Intermediate Similarity	NPD2381	Approved
0.7258	Intermediate Similarity	NPD2380	Approved
0.7258	Intermediate Similarity	NPD2382	Approved
0.7257	Intermediate Similarity	NPD1661	Suspended
0.7257	Intermediate Similarity	NPD4547	Phase 3
0.7255	Intermediate Similarity	NPD4852	Phase 2
0.7254	Intermediate Similarity	NPD5913	Phase 3
0.7254	Intermediate Similarity	NPD5912	Clinical (unspecified phase)
0.7249	Intermediate Similarity	NPD5596	Phase 2
0.7243	Intermediate Similarity	NPD4112	Clinical (unspecified phase)
0.7238	Intermediate Similarity	NPD972	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD6803	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD4999	Phase 3
0.7231	Intermediate Similarity	NPD4998	Phase 3
0.7225	Intermediate Similarity	NPD3717	Discontinued
0.7219	Intermediate Similarity	NPD8123	Approved
0.7219	Intermediate Similarity	NPD8122	Approved
0.7217	Intermediate Similarity	NPD6978	Phase 2
0.7217	Intermediate Similarity	NPD6977	Clinical (unspecified phase)
0.7209	Intermediate Similarity	NPD7558	Phase 2
0.7204	Intermediate Similarity	NPD6492	Phase 2
0.7202	Intermediate Similarity	NPD4499	Approved
0.7202	Intermediate Similarity	NPD6281	Approved
0.72	Intermediate Similarity	NPD7469	Discontinued
0.72	Intermediate Similarity	NPD1683	Approved
0.7194	Intermediate Similarity	NPD2960	Clinical (unspecified phase)
0.7186	Intermediate Similarity	NPD5017	Discontinued
0.7184	Intermediate Similarity	NPD5254	Discontinued
0.7182	Intermediate Similarity	NPD1404	Approved
0.7182	Intermediate Similarity	NPD1403	Approved
0.7179	Intermediate Similarity	NPD5428	Discontinued
0.7178	Intermediate Similarity	NPD4865	Approved
0.7178	Intermediate Similarity	NPD1392	Approved
0.7174	Intermediate Similarity	NPD2844	Phase 3
0.7174	Intermediate Similarity	NPD2640	Approved
0.7174	Intermediate Similarity	NPD2641	Approved
0.7172	Intermediate Similarity	NPD3825	Phase 3

Structure

NPC15102 OpenBabel07101718312D 25 29 0 0 1 0 0 0 0 0999 V2000 2.6320 -2.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 -2.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -2.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 -1.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -4.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -3.4543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0322 0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -2.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 -0.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -3.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2346 -0.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 -1.6942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6473 -0.5352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -4.2633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 0.4817 0.0000 N 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 -1.3383 -1.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2872 1.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 16 2 0 0 0 0 8 17 2 0 0 0 0 9 14 2 0 0 0 0 9 21 1 0 0 0 0 10 15 2 0 0 0 0 10 22 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 14 1 1 0 0 0 18 24 1 0 0 0 0 19 15 1 1 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	16104845
ChEMBL	CHEMBL387029
ZINC

Physicochemical Properties

Molecular Weight:	330.15
ALogP:	-1.7629
MLogP:	3.11
XLogP:	3.631
# Rotatable Bonds:	3
Polar Surface Area:	76.2
# H-Bond Aceptor:	5
# H-Bond Donor:	4
# Rings:	5
# Heavy Atoms:	25

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