NPASS Natural Product

Natural Product: NPC312341

Natural Product ID:	NPC312341
Common Name:	Taxodistine A
IUPAC Name:	(4bS,8aS,9R,10R)-10-methoxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4,9-triol
Synonyms:
Molecular Formula:	C21H32O4
Standard InCHIKey:	NAFCRWTYYJXRIX-YOUFYPILSA-N
Standard InCHI:	InChI=1S/C21H32O4/c1-11(2)12-10-13-14(16(23)15(12)22)21(5)9-7-8-20(3,4)19(21)17(24)18(13)25-6/h10-11,17-19,22-24H,7-9H2,1-6H3/t17-,18+,19-,21+/m0/s1
Canonical SMILES:	CO[C@H]1[C@H](O)[C@H]2C(C)(C)CCC[C@@]2(c2c1cc(C(C)C)c(c2O)O)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
NPO19278	Taxodium distichum	Species	Cupressaceae	Eukaryota				PMID[17869103]

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Cell Line	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT168	Cell Line	P388	Mus musculus	IC50	=	0.43	ug/ml	12880308

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 NPC312341 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	273
0.1-0.2	1036
0.2-0.3	2128
0.3-0.4	4371
0.4-0.5	7442
0.5-0.6	4889
0.6-0.7	7376
0.7-0.8	3014
0.8-0.85	312
0.85-0.9	42
0.9-0.95	4
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9612	High Similarity	NPC68292
0.952	High Similarity	NPC471077
0.9453	High Similarity	NPC59239
0.938	High Similarity	NPC227719
0.9297	High Similarity	NPC99795
0.9225	High Similarity	NPC78575
0.8992	High Similarity	NPC201069
0.8968	High Similarity	NPC471794
0.8915	High Similarity	NPC476536
0.88	High Similarity	NPC469644
0.8732	High Similarity	NPC183380
0.8731	High Similarity	NPC311256
0.873	High Similarity	NPC260832
0.873	High Similarity	NPC135467
0.8722	High Similarity	NPC228843
0.872	High Similarity	NPC471671
0.8692	High Similarity	NPC470724
0.8652	High Similarity	NPC191899
0.8652	High Similarity	NPC474991
0.8652	High Similarity	NPC246229
0.864	High Similarity	NPC172219
0.864	High Similarity	NPC304510
0.8615	High Similarity	NPC124030
0.8613	High Similarity	NPC6300
0.8613	High Similarity	NPC184613
0.8613	High Similarity	NPC230124
0.8613	High Similarity	NPC114171
0.8594	High Similarity	NPC474115
0.8593	High Similarity	NPC471942
0.8592	High Similarity	NPC127046
0.8571	High Similarity	NPC470727
0.8571	High Similarity	NPC143483
0.8571	High Similarity	NPC473845
0.8571	High Similarity	NPC469609
0.8571	High Similarity	NPC164183
0.8561	High Similarity	NPC472968
0.8561	High Similarity	NPC307050
0.8561	High Similarity	NPC277458
0.856	High Similarity	NPC477137
0.856	High Similarity	NPC92
0.856	High Similarity	NPC308311
0.856	High Similarity	NPC469663
0.856	High Similarity	NPC38893
0.8552	High Similarity	NPC475227
0.8552	High Similarity	NPC200645
0.8552	High Similarity	NPC106669
0.8542	High Similarity	NPC2745
0.8511	High Similarity	NPC126707
0.8492	Intermediate Similarity	NPC16030
0.8485	Intermediate Similarity	NPC186889
0.8483	Intermediate Similarity	NPC157783
0.848	Intermediate Similarity	NPC35797
0.848	Intermediate Similarity	NPC192948
0.8473	Intermediate Similarity	NPC470726
0.8472	Intermediate Similarity	NPC195561
0.8472	Intermediate Similarity	NPC158784
0.8468	Intermediate Similarity	NPC317869
0.8462	Intermediate Similarity	NPC470757
0.8451	Intermediate Similarity	NPC84786
0.8444	Intermediate Similarity	NPC321502
0.844	Intermediate Similarity	NPC133251
0.8433	Intermediate Similarity	NPC196193
0.8425	Intermediate Similarity	NPC154030
0.8417	Intermediate Similarity	NPC12668
0.8417	Intermediate Similarity	NPC308768
0.8414	Intermediate Similarity	NPC302915
0.8413	Intermediate Similarity	NPC308828
0.8413	Intermediate Similarity	NPC219112
0.8406	Intermediate Similarity	NPC56329
0.8406	Intermediate Similarity	NPC242715
0.8406	Intermediate Similarity	NPC22902
0.8394	Intermediate Similarity	NPC313081
0.8392	Intermediate Similarity	NPC58752
0.8387	Intermediate Similarity	NPC471179
0.8385	Intermediate Similarity	NPC321402
0.8382	Intermediate Similarity	NPC474453
0.838	Intermediate Similarity	NPC472457
0.838	Intermediate Similarity	NPC90645
0.8372	Intermediate Similarity	NPC470414
0.8357	Intermediate Similarity	NPC3218
0.8357	Intermediate Similarity	NPC265075
0.8356	Intermediate Similarity	NPC325860
0.8346	Intermediate Similarity	NPC118533
0.8346	Intermediate Similarity	NPC165045
0.8346	Intermediate Similarity	NPC21563
0.8346	Intermediate Similarity	NPC477136
0.8345	Intermediate Similarity	NPC243759
0.8345	Intermediate Similarity	NPC275061
0.8345	Intermediate Similarity	NPC243996
0.8345	Intermediate Similarity	NPC132804
0.8345	Intermediate Similarity	NPC105847
0.8345	Intermediate Similarity	NPC220344
0.8345	Intermediate Similarity	NPC218131
0.8333	Intermediate Similarity	NPC202846
0.8333	Intermediate Similarity	NPC177160
0.8333	Intermediate Similarity	NPC147179
0.8333	Intermediate Similarity	NPC266705
0.8333	Intermediate Similarity	NPC159697
0.8333	Intermediate Similarity	NPC130959
0.8333	Intermediate Similarity	NPC228771
0.8333	Intermediate Similarity	NPC143139
0.8333	Intermediate Similarity	NPC10737
0.8333	Intermediate Similarity	NPC209985
0.8333	Intermediate Similarity	NPC179809
0.8333	Intermediate Similarity	NPC263367
0.8333	Intermediate Similarity	NPC30632
0.8333	Intermediate Similarity	NPC473876
0.8333	Intermediate Similarity	NPC303013
0.8333	Intermediate Similarity	NPC29799
0.8333	Intermediate Similarity	NPC474940
0.8333	Intermediate Similarity	NPC29008
0.8333	Intermediate Similarity	NPC477939
0.8333	Intermediate Similarity	NPC474795
0.8333	Intermediate Similarity	NPC148627
0.8333	Intermediate Similarity	NPC156502
0.8333	Intermediate Similarity	NPC54743
0.8333	Intermediate Similarity	NPC212142
0.8321	Intermediate Similarity	NPC193026
0.8321	Intermediate Similarity	NPC209199
0.8321	Intermediate Similarity	NPC125649
0.8321	Intermediate Similarity	NPC49603
0.8321	Intermediate Similarity	NPC473451
0.8321	Intermediate Similarity	NPC187616
0.8309	Intermediate Similarity	NPC303144
0.8309	Intermediate Similarity	NPC321086
0.8309	Intermediate Similarity	NPC161958
0.8309	Intermediate Similarity	NPC14224
0.8298	Intermediate Similarity	NPC186033
0.8298	Intermediate Similarity	NPC175838
0.8295	Intermediate Similarity	NPC475245
0.8276	Intermediate Similarity	NPC181452
0.8276	Intermediate Similarity	NPC220006
0.8273	Intermediate Similarity	NPC230919
0.8273	Intermediate Similarity	NPC86605
0.8273	Intermediate Similarity	NPC301765
0.8273	Intermediate Similarity	NPC3072
0.8273	Intermediate Similarity	NPC200935
0.8273	Intermediate Similarity	NPC266453
0.8273	Intermediate Similarity	NPC46277
0.8273	Intermediate Similarity	NPC266006
0.8273	Intermediate Similarity	NPC151656
0.8273	Intermediate Similarity	NPC156948
0.8271	Intermediate Similarity	NPC321822
0.8271	Intermediate Similarity	NPC325294
0.8264	Intermediate Similarity	NPC474397
0.8261	Intermediate Similarity	NPC241241
0.8261	Intermediate Similarity	NPC294884
0.8261	Intermediate Similarity	NPC158142
0.8261	Intermediate Similarity	NPC69029
0.8261	Intermediate Similarity	NPC200557
0.8261	Intermediate Similarity	NPC108198
0.8261	Intermediate Similarity	NPC10314
0.8261	Intermediate Similarity	NPC256262
0.8258	Intermediate Similarity	NPC224342
0.8254	Intermediate Similarity	NPC268160
0.8252	Intermediate Similarity	NPC286245
0.8252	Intermediate Similarity	NPC272619
0.8248	Intermediate Similarity	NPC170185
0.8244	Intermediate Similarity	NPC152946
0.8239	Intermediate Similarity	NPC469630
0.8235	Intermediate Similarity	NPC15543
0.8227	Intermediate Similarity	NPC35216
0.8227	Intermediate Similarity	NPC471853
0.8219	Intermediate Similarity	NPC214326
0.8219	Intermediate Similarity	NPC225815
0.8219	Intermediate Similarity	NPC182368
0.8219	Intermediate Similarity	NPC9933
0.8219	Intermediate Similarity	NPC260781
0.8219	Intermediate Similarity	NPC218041
0.8219	Intermediate Similarity	NPC185955
0.8219	Intermediate Similarity	NPC469706
0.8219	Intermediate Similarity	NPC145979
0.8219	Intermediate Similarity	NPC469707
0.8217	Intermediate Similarity	NPC176893
0.8214	Intermediate Similarity	NPC79622
0.8214	Intermediate Similarity	NPC471183
0.8214	Intermediate Similarity	NPC212942
0.8214	Intermediate Similarity	NPC29868
0.8214	Intermediate Similarity	NPC32630
0.8209	Intermediate Similarity	NPC108164
0.8209	Intermediate Similarity	NPC5428
0.8207	Intermediate Similarity	NPC474856
0.8207	Intermediate Similarity	NPC117788
0.8207	Intermediate Similarity	NPC474834
0.8207	Intermediate Similarity	NPC291326
0.8207	Intermediate Similarity	NPC290902
0.8201	Intermediate Similarity	NPC472800
0.8201	Intermediate Similarity	NPC77861
0.8201	Intermediate Similarity	NPC470802
0.8201	Intermediate Similarity	NPC133025
0.8201	Intermediate Similarity	NPC470733
0.8195	Intermediate Similarity	NPC4286
0.8195	Intermediate Similarity	NPC9067
0.8195	Intermediate Similarity	NPC76119
0.8194	Intermediate Similarity	NPC75295
0.8194	Intermediate Similarity	NPC260397
0.8194	Intermediate Similarity	NPC233980
0.8194	Intermediate Similarity	NPC112251
0.8188	Intermediate Similarity	NPC478085
0.8188	Intermediate Similarity	NPC293454

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC312341 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	259
0.1-0.2	843
0.2-0.3	1551
0.3-0.4	2698
0.4-0.5	1994
0.5-0.6	1110
0.6-0.7	610
0.7-0.8	91
0.8-0.85	5
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8444	Intermediate Similarity	NPD3620	Phase 2
0.8444	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.8227	Intermediate Similarity	NPD6674	Discontinued
0.806	Intermediate Similarity	NPD3094	Phase 2
0.803	Intermediate Similarity	NPD3092	Approved
0.7956	Intermediate Similarity	NPD3027	Phase 3
0.7945	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7863	Intermediate Similarity	NPD3091	Approved
0.7786	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD1613	Approved
0.7737	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.773	Intermediate Similarity	NPD5735	Approved
0.7724	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7717	Intermediate Similarity	NPD3021	Approved
0.7717	Intermediate Similarity	NPD3022	Approved
0.7708	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7674	Intermediate Similarity	NPD7635	Approved
0.7643	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7612	Intermediate Similarity	NPD3095	Discontinued
0.7591	Intermediate Similarity	NPD8651	Approved
0.7591	Intermediate Similarity	NPD6696	Suspended
0.7584	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7554	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD8166	Discontinued
0.7535	Intermediate Similarity	NPD4060	Phase 1
0.7518	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD3657	Discovery
0.7481	Intermediate Similarity	NPD5126	Approved
0.7481	Intermediate Similarity	NPD5125	Phase 3
0.7468	Intermediate Similarity	NPD37	Approved
0.7466	Intermediate Similarity	NPD7266	Discontinued
0.7463	Intermediate Similarity	NPD7741	Discontinued
0.7452	Intermediate Similarity	NPD6234	Discontinued
0.7431	Intermediate Similarity	NPD4097	Suspended
0.7429	Intermediate Similarity	NPD5736	Approved
0.7429	Intermediate Similarity	NPD2861	Phase 2
0.7422	Intermediate Similarity	NPD2342	Discontinued
0.7394	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7391	Intermediate Similarity	NPD5327	Phase 3
0.7348	Intermediate Similarity	NPD5283	Phase 1
0.7348	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD5763	Approved
0.7347	Intermediate Similarity	NPD5762	Approved
0.7346	Intermediate Similarity	NPD7228	Approved
0.7328	Intermediate Similarity	NPD228	Approved
0.7325	Intermediate Similarity	NPD4966	Approved
0.7325	Intermediate Similarity	NPD4965	Approved
0.7325	Intermediate Similarity	NPD4967	Phase 2
0.7324	Intermediate Similarity	NPD4625	Phase 3
0.7292	Intermediate Similarity	NPD4140	Approved
0.7254	Intermediate Similarity	NPD4908	Phase 1
0.7246	Intermediate Similarity	NPD3705	Approved
0.7239	Intermediate Similarity	NPD7157	Approved
0.7234	Intermediate Similarity	NPD4624	Approved
0.7226	Intermediate Similarity	NPD4626	Approved
0.7226	Intermediate Similarity	NPD3019	Approved
0.7226	Intermediate Similarity	NPD4059	Approved
0.7222	Intermediate Similarity	NPD27	Approved
0.7222	Intermediate Similarity	NPD2489	Approved
0.7222	Intermediate Similarity	NPD6663	Approved
0.7218	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7205	Intermediate Similarity	NPD3051	Approved
0.7197	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD6353	Approved
0.7185	Intermediate Similarity	NPD7340	Approved
0.7178	Intermediate Similarity	NPD7473	Discontinued
0.7177	Intermediate Similarity	NPD1809	Phase 2
0.7176	Intermediate Similarity	NPD4750	Phase 3
0.716	Intermediate Similarity	NPD2969	Approved
0.716	Intermediate Similarity	NPD2970	Approved
0.7143	Intermediate Similarity	NPD8127	Discontinued
0.7143	Intermediate Similarity	NPD4749	Approved
0.7124	Intermediate Similarity	NPD3645	Discontinued
0.7101	Intermediate Similarity	NPD2932	Approved
0.7099	Intermediate Similarity	NPD6232	Discontinued
0.7091	Intermediate Similarity	NPD5844	Phase 1
0.7089	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7312	Approved
0.7083	Intermediate Similarity	NPD7313	Approved
0.7083	Intermediate Similarity	NPD7311	Approved
0.7083	Intermediate Similarity	NPD7310	Approved
0.7059	Intermediate Similarity	NPD4663	Approved
0.7059	Intermediate Similarity	NPD7040	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD7041	Phase 2
0.7047	Intermediate Similarity	NPD6099	Approved
0.7047	Intermediate Similarity	NPD6100	Approved
0.7041	Intermediate Similarity	NPD7309	Approved
0.7039	Intermediate Similarity	NPD6190	Approved
0.7039	Intermediate Similarity	NPD2677	Approved
0.7029	Intermediate Similarity	NPD5691	Approved
0.7029	Intermediate Similarity	NPD1357	Approved
0.7021	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD7906	Approved
0.7008	Intermediate Similarity	NPD3020	Approved
0.7	Intermediate Similarity	NPD1610	Phase 2
0.6985	Remote Similarity	NPD4198	Discontinued
0.6984	Remote Similarity	NPD288	Approved
0.6982	Remote Similarity	NPD4578	Approved
0.6982	Remote Similarity	NPD4577	Approved
0.698	Remote Similarity	NPD7743	Approved
0.698	Remote Similarity	NPD7742	Approved
0.6977	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD4628	Phase 3
0.6968	Remote Similarity	NPD5261	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD7095	Approved
0.6963	Remote Similarity	NPD1398	Phase 1
0.6953	Remote Similarity	NPD289	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD2238	Phase 2
0.6934	Remote Similarity	NPD7325	Clinical (unspecified phase)
0.6918	Remote Similarity	NPD1934	Approved
0.6918	Remote Similarity	NPD7985	Registered
0.6913	Remote Similarity	NPD4536	Approved
0.6913	Remote Similarity	NPD4537	Clinical (unspecified phase)
0.6913	Remote Similarity	NPD4538	Approved
0.6905	Remote Similarity	NPD844	Approved
0.6903	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6894	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD7843	Approved
0.688	Remote Similarity	NPD845	Approved
0.6879	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6879	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6871	Remote Similarity	NPD4666	Phase 3
0.6864	Remote Similarity	NPD7240	Approved
0.6863	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD4109	Clinical (unspecified phase)
0.6863	Remote Similarity	NPD4110	Phase 3
0.6863	Remote Similarity	NPD7003	Approved
0.6861	Remote Similarity	NPD6671	Approved
0.6857	Remote Similarity	NPD2286	Discontinued
0.6857	Remote Similarity	NPD9384	Approved
0.6857	Remote Similarity	NPD9381	Approved
0.6853	Remote Similarity	NPD1283	Approved
0.6852	Remote Similarity	NPD7833	Phase 2
0.6852	Remote Similarity	NPD7832	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD7831	Phase 2
0.6846	Remote Similarity	NPD5700	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD5314	Approved
0.6842	Remote Similarity	NPD2684	Approved
0.6835	Remote Similarity	NPD7458	Discontinued
0.6832	Remote Similarity	NPD2563	Approved
0.6832	Remote Similarity	NPD2560	Approved
0.6829	Remote Similarity	NPD7199	Phase 2
0.6828	Remote Similarity	NPD3018	Phase 2
0.6825	Remote Similarity	NPD1432	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD3061	Approved
0.6824	Remote Similarity	NPD3059	Approved
0.6824	Remote Similarity	NPD3062	Approved
0.6818	Remote Similarity	NPD5241	Discontinued
0.681	Remote Similarity	NPD5709	Phase 3
0.6809	Remote Similarity	NPD3026	Approved
0.6809	Remote Similarity	NPD3023	Approved
0.6807	Remote Similarity	NPD6167	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD6166	Phase 2
0.6807	Remote Similarity	NPD6168	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD8055	Clinical (unspecified phase)
0.6797	Remote Similarity	NPD5177	Phase 3
0.6797	Remote Similarity	NPD3060	Approved
0.6795	Remote Similarity	NPD7446	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD6071	Discontinued
0.6786	Remote Similarity	NPD3025	Approved
0.6786	Remote Similarity	NPD1651	Approved
0.6786	Remote Similarity	NPD4093	Discontinued
0.6786	Remote Similarity	NPD3024	Approved
0.6783	Remote Similarity	NPD9622	Approved
0.6779	Remote Similarity	NPD6355	Discontinued
0.6772	Remote Similarity	NPD2860	Approved
0.6772	Remote Similarity	NPD2859	Approved
0.6772	Remote Similarity	NPD1653	Approved
0.677	Remote Similarity	NPD5929	Approved
0.6763	Remote Similarity	NPD8150	Discontinued
0.6761	Remote Similarity	NPD1091	Approved
0.6755	Remote Similarity	NPD5960	Phase 3
0.6755	Remote Similarity	NPD5588	Approved
0.6753	Remote Similarity	NPD6331	Phase 2
0.6752	Remote Similarity	NPD6090	Discontinued
0.6738	Remote Similarity	NPD1751	Approved
0.6731	Remote Similarity	NPD2421	Approved
0.6731	Remote Similarity	NPD2420	Approved
0.673	Remote Similarity	NPD4005	Discontinued
0.6727	Remote Similarity	NPD6959	Discontinued
0.6714	Remote Similarity	NPD1548	Phase 1
0.6713	Remote Similarity	NPD2232	Approved
0.6713	Remote Similarity	NPD2230	Approved
0.6713	Remote Similarity	NPD2233	Approved
0.6711	Remote Similarity	NPD5406	Approved
0.6711	Remote Similarity	NPD2438	Suspended
0.6711	Remote Similarity	NPD5408	Approved
0.6711	Remote Similarity	NPD5404	Approved
0.6711	Remote Similarity	NPD1558	Phase 1
0.6711	Remote Similarity	NPD2979	Phase 3
0.6711	Remote Similarity	NPD5405	Approved
0.671	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6693	Remote Similarity	NPD2934	Approved
0.6693	Remote Similarity	NPD2933	Approved
0.669	Remote Similarity	NPD4339	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD5111	Phase 2
0.6689	Remote Similarity	NPD7097	Phase 1
0.6689	Remote Similarity	NPD5109	Approved
0.6689	Remote Similarity	NPD5110	Phase 2

Structure

NPC312341 OpenBabel07101718182D 25 27 0 0 1 0 0 0 0 0999 V2000 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 1 0 0 0 18 25 1 6 0 0 0 19 20 1 0 0 0 0 19 21 1 6 0 0 0 21 5 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	23661633
ChEMBL	CHEMBL236730
ZINC

Physicochemical Properties

Molecular Weight:	348.23
ALogP:	-0.0683
MLogP:	3.33
XLogP:	4.87
# Rotatable Bonds:	11
Polar Surface Area:	69.92
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	25

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