NPASS Natural Product

Natural Product: NPC227582

Natural Product ID:	NPC227582
Common Name:	Ochrindole D
IUPAC Name:
Synonyms:	Ochrindole D
Molecular Formula:	C27H22N2O3
Standard InCHIKey:	JZRJQJYIPSFKHJ-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C27H22N2O3/c1-15(2)11-12-18-23(19-13-28-21-9-5-3-7-16(19)21)26(31)27(32)24(25(18)30)20-14-29-22-10-6-4-8-17(20)22/h3-11,13-14,28-29,32H,12H2,1-2H3
Canonical SMILES:	CC(=CCC1=C(C(=O)C(=C(C1=O)c1c[nH]c2c1cccc2)O)c1c[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
NPO33431	aspergillus ochraceus nrrl 3519	Species	Aspergillaceae	Eukaryota				PMID[8064296]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	IZ	=	15	mm	23122863

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 NPC227582 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	262
0.1-0.2	1688
0.2-0.3	8511
0.3-0.4	14272
0.4-0.5	3168
0.5-0.6	1111
0.6-0.7	1216
0.7-0.8	584
0.8-0.85	66
0.85-0.9	8
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9831	High Similarity	NPC252338
0.9553	High Similarity	NPC74413
0.9396	High Similarity	NPC260900
0.8865	High Similarity	NPC131887
0.884	High Similarity	NPC321708
0.8814	High Similarity	NPC55772
0.8744	High Similarity	NPC476818
0.8667	High Similarity	NPC474412
0.8579	High Similarity	NPC476073
0.8564	High Similarity	NPC67288
0.8547	High Similarity	NPC59269
0.8444	Intermediate Similarity	NPC111275
0.8441	Intermediate Similarity	NPC476460
0.8418	Intermediate Similarity	NPC78020
0.8396	Intermediate Similarity	NPC47190
0.8389	Intermediate Similarity	NPC267885
0.8387	Intermediate Similarity	NPC154339
0.836	Intermediate Similarity	NPC11445
0.8358	Intermediate Similarity	NPC276657
0.8351	Intermediate Similarity	NPC267343
0.8351	Intermediate Similarity	NPC304203
0.835	Intermediate Similarity	NPC264285
0.8333	Intermediate Similarity	NPC149155
0.8333	Intermediate Similarity	NPC203468
0.8333	Intermediate Similarity	NPC110500
0.8325	Intermediate Similarity	NPC82370
0.8324	Intermediate Similarity	NPC235684
0.8315	Intermediate Similarity	NPC63751
0.8307	Intermediate Similarity	NPC195239
0.8307	Intermediate Similarity	NPC157828
0.8297	Intermediate Similarity	NPC213468
0.8297	Intermediate Similarity	NPC248041
0.8297	Intermediate Similarity	NPC126709
0.827	Intermediate Similarity	NPC308931
0.827	Intermediate Similarity	NPC99939
0.8242	Intermediate Similarity	NPC284775
0.8235	Intermediate Similarity	NPC229893
0.8226	Intermediate Similarity	NPC62749
0.8226	Intermediate Similarity	NPC315555
0.8197	Intermediate Similarity	NPC283219
0.8196	Intermediate Similarity	NPC193761
0.8186	Intermediate Similarity	NPC16352
0.8182	Intermediate Similarity	NPC17059
0.8173	Intermediate Similarity	NPC258062
0.8172	Intermediate Similarity	NPC15102
0.8156	Intermediate Similarity	NPC474561
0.8156	Intermediate Similarity	NPC49954
0.8142	Intermediate Similarity	NPC14113
0.8142	Intermediate Similarity	NPC84827
0.8142	Intermediate Similarity	NPC145885
0.8122	Intermediate Similarity	NPC225821
0.8109	Intermediate Similarity	NPC478157
0.809	Intermediate Similarity	NPC282231
0.8079	Intermediate Similarity	NPC92796
0.8079	Intermediate Similarity	NPC135141
0.8069	Intermediate Similarity	NPC36405
0.8063	Intermediate Similarity	NPC326422
0.8061	Intermediate Similarity	NPC98715
0.8061	Intermediate Similarity	NPC317701
0.8057	Intermediate Similarity	NPC469765
0.8057	Intermediate Similarity	NPC73952
0.8057	Intermediate Similarity	NPC469760
0.8057	Intermediate Similarity	NPC469786
0.8057	Intermediate Similarity	NPC469763
0.8057	Intermediate Similarity	NPC25008
0.8057	Intermediate Similarity	NPC259644
0.8056	Intermediate Similarity	NPC160105
0.8045	Intermediate Similarity	NPC311276
0.8042	Intermediate Similarity	NPC213629
0.804	Intermediate Similarity	NPC478158
0.8034	Intermediate Similarity	NPC279918
0.8011	Intermediate Similarity	NPC70922
0.8011	Intermediate Similarity	NPC80597
0.8011	Intermediate Similarity	NPC212376
0.8011	Intermediate Similarity	NPC75540
0.8011	Intermediate Similarity	NPC211572
0.801	Intermediate Similarity	NPC87856
0.799	Intermediate Similarity	NPC127677
0.798	Intermediate Similarity	NPC203614
0.798	Intermediate Similarity	NPC132211
0.7959	Intermediate Similarity	NPC300183
0.795	Intermediate Similarity	NPC162860
0.795	Intermediate Similarity	NPC271862
0.7946	Intermediate Similarity	NPC151939
0.7944	Intermediate Similarity	NPC194640
0.7943	Intermediate Similarity	NPC53947
0.7941	Intermediate Similarity	NPC472285
0.794	Intermediate Similarity	NPC54420
0.794	Intermediate Similarity	NPC46225
0.7937	Intermediate Similarity	NPC94752
0.7926	Intermediate Similarity	NPC477003
0.7926	Intermediate Similarity	NPC228835
0.7921	Intermediate Similarity	NPC110182
0.7921	Intermediate Similarity	NPC469762
0.7919	Intermediate Similarity	NPC476874
0.7908	Intermediate Similarity	NPC213308
0.7906	Intermediate Similarity	NPC83111
0.7897	Intermediate Similarity	NPC171317
0.788	Intermediate Similarity	NPC314603
0.7877	Intermediate Similarity	NPC207686
0.7874	Intermediate Similarity	NPC288838
0.7865	Intermediate Similarity	NPC469785
0.7861	Intermediate Similarity	NPC91179
0.7857	Intermediate Similarity	NPC54988
0.7849	Intermediate Similarity	NPC248454
0.7849	Intermediate Similarity	NPC64436
0.784	Intermediate Similarity	NPC70155
0.7839	Intermediate Similarity	NPC473376
0.7835	Intermediate Similarity	NPC202812
0.7833	Intermediate Similarity	NPC151976
0.7833	Intermediate Similarity	NPC6865
0.7833	Intermediate Similarity	NPC153980
0.7833	Intermediate Similarity	NPC75634
0.7819	Intermediate Similarity	NPC71037
0.7816	Intermediate Similarity	NPC314372
0.7814	Intermediate Similarity	NPC201700
0.7814	Intermediate Similarity	NPC15801
0.7808	Intermediate Similarity	NPC178858
0.7807	Intermediate Similarity	NPC11126
0.7807	Intermediate Similarity	NPC219336
0.7805	Intermediate Similarity	NPC204491
0.7801	Intermediate Similarity	NPC278434
0.78	Intermediate Similarity	NPC472064
0.78	Intermediate Similarity	NPC175602
0.7799	Intermediate Similarity	NPC147446
0.7794	Intermediate Similarity	NPC267965
0.7783	Intermediate Similarity	NPC72956
0.7778	Intermediate Similarity	NPC230869
0.7778	Intermediate Similarity	NPC469358
0.7772	Intermediate Similarity	NPC61038
0.7766	Intermediate Similarity	NPC293917
0.7755	Intermediate Similarity	NPC167710
0.7755	Intermediate Similarity	NPC262898
0.7754	Intermediate Similarity	NPC15573
0.7754	Intermediate Similarity	NPC183662
0.7754	Intermediate Similarity	NPC217372
0.775	Intermediate Similarity	NPC477043
0.7747	Intermediate Similarity	NPC40779
0.7745	Intermediate Similarity	NPC219087
0.7745	Intermediate Similarity	NPC207020
0.7742	Intermediate Similarity	NPC139763
0.7732	Intermediate Similarity	NPC99666
0.7729	Intermediate Similarity	NPC477714
0.7729	Intermediate Similarity	NPC473310
0.7727	Intermediate Similarity	NPC315491
0.7727	Intermediate Similarity	NPC45459
0.7725	Intermediate Similarity	NPC191415
0.7722	Intermediate Similarity	NPC216643
0.772	Intermediate Similarity	NPC472112
0.772	Intermediate Similarity	NPC95783
0.7716	Intermediate Similarity	NPC477041
0.7716	Intermediate Similarity	NPC149708
0.7716	Intermediate Similarity	NPC477044
0.7713	Intermediate Similarity	NPC248462
0.771	Intermediate Similarity	NPC63031
0.7704	Intermediate Similarity	NPC179701
0.7703	Intermediate Similarity	NPC2395
0.7701	Intermediate Similarity	NPC190296
0.7696	Intermediate Similarity	NPC280290
0.7692	Intermediate Similarity	NPC88315
0.7688	Intermediate Similarity	NPC475506
0.7684	Intermediate Similarity	NPC163055
0.7681	Intermediate Similarity	NPC27041
0.7681	Intermediate Similarity	NPC477715
0.7678	Intermediate Similarity	NPC235885
0.7678	Intermediate Similarity	NPC141428
0.7677	Intermediate Similarity	NPC220797
0.7677	Intermediate Similarity	NPC474318
0.7677	Intermediate Similarity	NPC475914
0.7677	Intermediate Similarity	NPC268744
0.7677	Intermediate Similarity	NPC153123
0.7677	Intermediate Similarity	NPC201266
0.7672	Intermediate Similarity	NPC300688
0.7665	Intermediate Similarity	NPC272483
0.7659	Intermediate Similarity	NPC31385
0.7659	Intermediate Similarity	NPC75726
0.7659	Intermediate Similarity	NPC471194
0.7659	Intermediate Similarity	NPC110602
0.7659	Intermediate Similarity	NPC471193
0.765	Intermediate Similarity	NPC472069
0.765	Intermediate Similarity	NPC271797
0.765	Intermediate Similarity	NPC472062
0.765	Intermediate Similarity	NPC21174
0.765	Intermediate Similarity	NPC328318
0.765	Intermediate Similarity	NPC155143
0.765	Intermediate Similarity	NPC472063
0.765	Intermediate Similarity	NPC328596
0.7644	Intermediate Similarity	NPC165495
0.7642	Intermediate Similarity	NPC267926
0.7641	Intermediate Similarity	NPC472113
0.764	Intermediate Similarity	NPC24678
0.764	Intermediate Similarity	NPC105818
0.7638	Intermediate Similarity	NPC23420
0.7638	Intermediate Similarity	NPC166209
0.7638	Intermediate Similarity	NPC106771
0.7638	Intermediate Similarity	NPC269203
0.7638	Intermediate Similarity	NPC205254
0.7638	Intermediate Similarity	NPC77241
0.7638	Intermediate Similarity	NPC13456
0.7638	Intermediate Similarity	NPC303820

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC227582 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	176
0.1-0.2	566
0.2-0.3	871
0.3-0.4	1517
0.4-0.5	2717
0.5-0.6	2054
0.6-0.7	1031
0.7-0.8	208
0.8-0.85	20
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8684	High Similarity	NPD5426	Phase 3
0.8453	Intermediate Similarity	NPD6595	Phase 3
0.8389	Intermediate Similarity	NPD749	Clinical (unspecified phase)
0.8333	Intermediate Similarity	NPD482	Approved
0.8325	Intermediate Similarity	NPD7000	Clinical (unspecified phase)
0.8325	Intermediate Similarity	NPD6999	Discontinued
0.8315	Intermediate Similarity	NPD2096	Phase 2
0.8315	Intermediate Similarity	NPD2091	Phase 2
0.8299	Intermediate Similarity	NPD5901	Discontinued
0.827	Intermediate Similarity	NPD6610	Clinical (unspecified phase)
0.8261	Intermediate Similarity	NPD2095	Phase 2
0.8261	Intermediate Similarity	NPD2094	Phase 2
0.8261	Intermediate Similarity	NPD2092	Phase 2
0.809	Intermediate Similarity	NPD7998	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD750	Phase 2
0.8071	Intermediate Similarity	NPD7001	Phase 3
0.8065	Intermediate Similarity	NPD5728	Clinical (unspecified phase)
0.805	Intermediate Similarity	NPD8013	Clinical (unspecified phase)
0.8043	Intermediate Similarity	NPD6203	Clinical (unspecified phase)
0.8021	Intermediate Similarity	NPD3607	Clinical (unspecified phase)
0.802	Intermediate Similarity	NPD6987	Phase 1
0.799	Intermediate Similarity	NPD7665	Phase 2
0.799	Intermediate Similarity	NPD7666	Phase 3
0.798	Intermediate Similarity	NPD6732	Clinical (unspecified phase)
0.7967	Intermediate Similarity	NPD4184	Clinical (unspecified phase)
0.796	Intermediate Similarity	NPD7470	Discontinued
0.7958	Intermediate Similarity	NPD6180	Clinical (unspecified phase)
0.794	Intermediate Similarity	NPD8493	Clinical (unspecified phase)
0.7895	Intermediate Similarity	NPD8431	Approved
0.7838	Intermediate Similarity	NPD5065	Approved
0.7822	Intermediate Similarity	NPD7809	Clinical (unspecified phase)
0.7817	Intermediate Similarity	NPD8248	Clinical (unspecified phase)
0.78	Intermediate Similarity	NPD4862	Clinical (unspecified phase)
0.7773	Intermediate Similarity	NPD6164	Phase 2
0.7773	Intermediate Similarity	NPD6165	Phase 2
0.7766	Intermediate Similarity	NPD7621	Clinical (unspecified phase)
0.7766	Intermediate Similarity	NPD8464	Clinical (unspecified phase)
0.7755	Intermediate Similarity	NPD7948	Phase 1
0.7749	Intermediate Similarity	NPD4426	Clinical (unspecified phase)
0.7745	Intermediate Similarity	NPD7594	Clinical (unspecified phase)
0.7745	Intermediate Similarity	NPD4852	Phase 2
0.774	Intermediate Similarity	NPD6242	Discontinued
0.7734	Intermediate Similarity	NPD7825	Clinical (unspecified phase)
0.7729	Intermediate Similarity	NPD8405	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD484	Approved
0.7723	Intermediate Similarity	NPD2509	Approved
0.7723	Intermediate Similarity	NPD2510	Approved
0.7692	Intermediate Similarity	NPD5575	Clinical (unspecified phase)
0.7673	Intermediate Similarity	NPD6838	Clinical (unspecified phase)
0.7668	Intermediate Similarity	NPD8110	Clinical (unspecified phase)
0.7653	Intermediate Similarity	NPD7619	Phase 3
0.7653	Intermediate Similarity	NPD7944	Discontinued
0.7653	Intermediate Similarity	NPD7618	Phase 3
0.765	Intermediate Similarity	NPD8073	Approved
0.7624	Intermediate Similarity	NPD7958	Clinical (unspecified phase)
0.7624	Intermediate Similarity	NPD7957	Phase 1
0.7624	Intermediate Similarity	NPD2008	Discontinued
0.7622	Intermediate Similarity	NPD2844	Phase 3
0.7585	Intermediate Similarity	NPD8112	Clinical (unspecified phase)
0.7573	Intermediate Similarity	NPD2411	Approved
0.7573	Intermediate Similarity	NPD8093	Discontinued
0.7549	Intermediate Similarity	NPD7947	Clinical (unspecified phase)
0.7536	Intermediate Similarity	NPD8094	Discontinued
0.7526	Intermediate Similarity	NPD4079	Approved
0.7526	Intermediate Similarity	NPD4076	Approved
0.7525	Intermediate Similarity	NPD4848	Phase 1
0.7525	Intermediate Similarity	NPD8072	Approved
0.7512	Intermediate Similarity	NPD5818	Discontinued
0.7487	Intermediate Similarity	NPD6664	Approved
0.7486	Intermediate Similarity	NPD4374	Clinical (unspecified phase)
0.7477	Intermediate Similarity	NPD7603	Discontinued
0.7474	Intermediate Similarity	NPD3505	Approved
0.7474	Intermediate Similarity	NPD2144	Approved
0.7474	Intermediate Similarity	NPD3506	Approved
0.7473	Intermediate Similarity	NPD276	Clinical (unspecified phase)
0.7463	Intermediate Similarity	NPD4601	Approved
0.7463	Intermediate Similarity	NPD4600	Approved
0.7461	Intermediate Similarity	NPD6178	Phase 3
0.7449	Intermediate Similarity	NPD4499	Approved
0.7448	Intermediate Similarity	NPD3178	Discontinued
0.7444	Intermediate Similarity	NPD2172	Phase 1
0.7442	Intermediate Similarity	NPD4845	Discontinued
0.7438	Intermediate Similarity	NPD2121	Clinical (unspecified phase)
0.7437	Intermediate Similarity	NPD7818	Clinical (unspecified phase)
0.7433	Intermediate Similarity	NPD5069	Clinical (unspecified phase)
0.7431	Intermediate Similarity	NPD7950	Approved
0.7431	Intermediate Similarity	NPD7952	Approved
0.7431	Intermediate Similarity	NPD7789	Approved
0.7431	Intermediate Similarity	NPD7953	Approved
0.7431	Intermediate Similarity	NPD7951	Approved
0.7431	Intermediate Similarity	NPD7790	Approved
0.7431	Intermediate Similarity	NPD7791	Approved
0.7429	Intermediate Similarity	NPD8406	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD786	Approved
0.7418	Intermediate Similarity	NPD6995	Phase 1
0.7409	Intermediate Similarity	NPD3320	Approved
0.7409	Intermediate Similarity	NPD3318	Approved
0.7409	Intermediate Similarity	NPD3319	Phase 1
0.7407	Intermediate Similarity	NPD7780	Approved
0.7407	Intermediate Similarity	NPD7781	Approved
0.7404	Intermediate Similarity	NPD8458	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD5473	Discontinued
0.7394	Intermediate Similarity	NPD1326	Approved
0.7394	Intermediate Similarity	NPD1325	Approved
0.7389	Intermediate Similarity	NPD5721	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD3389	Approved
0.7381	Intermediate Similarity	NPD3393	Approved
0.7381	Intermediate Similarity	NPD3394	Approved
0.7371	Intermediate Similarity	NPD7564	Discontinued
0.7368	Intermediate Similarity	NPD4736	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD8488	Clinical (unspecified phase)
0.7361	Intermediate Similarity	NPD7730	Approved
0.7361	Intermediate Similarity	NPD7731	Approved
0.7359	Intermediate Similarity	NPD6530	Approved
0.7359	Intermediate Similarity	NPD6531	Approved
0.7358	Intermediate Similarity	NPD3038	Discontinued
0.7356	Intermediate Similarity	NPD198	Clinical (unspecified phase)
0.7354	Intermediate Similarity	NPD3914	Clinical (unspecified phase)
0.7354	Intermediate Similarity	NPD5934	Clinical (unspecified phase)
0.7352	Intermediate Similarity	NPD5040	Clinical (unspecified phase)
0.7351	Intermediate Similarity	NPD6454	Clinical (unspecified phase)
0.7349	Intermediate Similarity	NPD7271	Approved
0.7348	Intermediate Similarity	NPD4463	Approved
0.7348	Intermediate Similarity	NPD4462	Approved
0.7347	Intermediate Similarity	NPD4948	Discontinued
0.7345	Intermediate Similarity	NPD1722	Approved
0.734	Intermediate Similarity	NPD5017	Discontinued
0.7337	Intermediate Similarity	NPD1038	Approved
0.733	Intermediate Similarity	NPD4075	Phase 2
0.7327	Intermediate Similarity	NPD6137	Clinical (unspecified phase)
0.7323	Intermediate Similarity	NPD2336	Approved
0.7323	Intermediate Similarity	NPD6630	Clinical (unspecified phase)
0.7317	Intermediate Similarity	NPD3947	Discontinued
0.7313	Intermediate Similarity	NPD5003	Discontinued
0.731	Intermediate Similarity	NPD1534	Approved
0.7296	Intermediate Similarity	NPD6217	Discontinued
0.7294	Intermediate Similarity	NPD5801	Clinical (unspecified phase)
0.7294	Intermediate Similarity	NPD7824	Approved
0.7293	Intermediate Similarity	NPD3100	Discontinued
0.7292	Intermediate Similarity	NPD7865	Approved
0.7268	Intermediate Similarity	NPD2837	Discontinued
0.7264	Intermediate Similarity	NPD8000	Clinical (unspecified phase)
0.7251	Intermediate Similarity	NPD7970	Approved
0.7251	Intermediate Similarity	NPD7971	Clinical (unspecified phase)
0.7241	Intermediate Similarity	NPD6661	Clinical (unspecified phase)
0.724	Intermediate Similarity	NPD6375	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD8272	Phase 2
0.7228	Intermediate Similarity	NPD2880	Discontinued
0.7225	Intermediate Similarity	NPD4051	Discontinued
0.722	Intermediate Similarity	NPD2879	Approved
0.722	Intermediate Similarity	NPD2881	Approved
0.7216	Intermediate Similarity	NPD2481	Approved
0.7216	Intermediate Similarity	NPD2479	Phase 3
0.7211	Intermediate Similarity	NPD1573	Approved
0.7211	Intermediate Similarity	NPD1575	Approved
0.7206	Intermediate Similarity	NPD4500	Approved
0.7206	Intermediate Similarity	NPD4501	Approved
0.72	Intermediate Similarity	NPD3404	Approved
0.7198	Intermediate Similarity	NPD7568	Phase 1
0.7196	Intermediate Similarity	NPD2639	Approved
0.7196	Intermediate Similarity	NPD2642	Approved
0.7192	Intermediate Similarity	NPD4397	Phase 1
0.719	Intermediate Similarity	NPD4614	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD4128	Approved
0.7184	Intermediate Similarity	NPD6176	Phase 1
0.7181	Intermediate Similarity	NPD3323	Discontinued
0.7181	Intermediate Similarity	NPD5088	Discontinued
0.7178	Intermediate Similarity	NPD2307	Discontinued
0.7172	Intermediate Similarity	NPD3961	Discontinued
0.7172	Intermediate Similarity	NPD3486	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD6141	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD8386	Phase 2
0.7164	Intermediate Similarity	NPD802	Phase 2
0.7164	Intermediate Similarity	NPD1304	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD3905	Phase 3
0.7163	Intermediate Similarity	NPD8322	Phase 2
0.7158	Intermediate Similarity	NPD2185	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD7711	Discontinued
0.715	Intermediate Similarity	NPD5592	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD56	Approved
0.715	Intermediate Similarity	NPD8098	Approved
0.715	Intermediate Similarity	NPD8283	Approved
0.715	Intermediate Similarity	NPD8282	Approved
0.7137	Intermediate Similarity	NPD5483	Clinical (unspecified phase)
0.7136	Intermediate Similarity	NPD7187	Phase 2
0.7129	Intermediate Similarity	NPD2443	Approved
0.7129	Intermediate Similarity	NPD2442	Approved
0.7128	Intermediate Similarity	NPD1291	Clinical (unspecified phase)
0.7128	Intermediate Similarity	NPD6277	Clinical (unspecified phase)
0.7122	Intermediate Similarity	NPD2305	Discontinued
0.7122	Intermediate Similarity	NPD6479	Discontinued
0.7114	Intermediate Similarity	NPD5505	Discontinued
0.7114	Intermediate Similarity	NPD4922	Phase 2
0.7113	Intermediate Similarity	NPD4181	Approved
0.7101	Intermediate Similarity	NPD4886	Phase 2
0.7101	Intermediate Similarity	NPD7393	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD3871	Clinical (unspecified phase)
0.71	Intermediate Similarity	NPD3870	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD6449	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD4383	Clinical (unspecified phase)

Structure

NPC227582 OpenBabel07101718222D 32 36 0 0 0 0 0 0 0 0999 V2000 2.0585 4.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3457 3.7157 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 -2.8963 -1.0102 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 -3.7624 -0.5102 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 -2.0303 -0.5102 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 -3.7624 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 3.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0074 2.2294 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 -1.6939 2.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 3.9236 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 -2.0303 0.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 1.4863 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 -1.2872 1.1590 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 -2.8963 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6473 0.5352 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 0.3601 1.6942 0.0000 C 0 0 0 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 -0.0000 -0.0000 0.0000 C 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 -2.6884 1.9680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 2.6453 0.0000 O 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 -0.6691 -0.7431 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 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 16 2 0 0 0 0 8 17 2 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 13 28 1 0 0 0 0 14 20 2 0 0 0 0 14 29 1 0 0 0 0 16 19 1 0 0 0 0 16 21 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 25 30 2 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID
ChEMBL	CHEMBL511476
ZINC

Physicochemical Properties

Molecular Weight:	422.16
ALogP:	0.2947
MLogP:	3.88
XLogP:	5.639
# Rotatable Bonds:	7
Polar Surface Area:	85.95
# H-Bond Aceptor:	5
# H-Bond Donor:	3
# Rings:	5
# Heavy Atoms:	32

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