NPASS Natural Product

Natural Product: NPC302258

Natural Product ID:	NPC302258
Common Name:	14-Angeloyloxy-2Alpha,3Alpha-Epoxy-1Beta-Hydroxydeltonorcacalol
IUPAC Name:	[(1aR,2S,7R,7aS)-5-acetyl-2,4-dihydroxy-3-methoxy-7-methyl-1a,2,7,7a-tetrahydronaphtho[6,7-b]oxiren-6-yl]methyl (Z)-2-methylbut-2-enoate
Synonyms:
Molecular Formula:	C20H24O7
Standard InCHIKey:	MTYVORPSHXIKQD-GTNOQCDASA-N
Standard InCHI:	InChI=1S/C20H24O7/c1-6-8(2)20(24)26-7-11-12-9(3)17-19(27-17)16(23)14(12)18(25-5)15(22)13(11)10(4)21/h6,9,16-17,19,22-23H,7H2,1-5H3/b8-6-/t9-,16+,17+,19-/m1/s1
Canonical SMILES:	C/C=C(C(=O)OCc1c2[C@@H](C)[C@@H]3O[C@@H]3[C@H](c2c(c(c1C(=O)C)O)OC)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
NPO29766	Parasenecio deltophyllus	Species	Asteraceae	Eukaryota	Aerial parts			PMID[20968296]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1	Others	Radical scavenging activity		IC50	=	200000	nM	20968296
NPT2	Others	Unspecified		IC50	=	200000	nM	20968296

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 NPC302258 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	271
0.1-0.2	1049
0.2-0.3	2212
0.3-0.4	4372
0.4-0.5	7259
0.5-0.6	4575
0.6-0.7	3618
0.7-0.8	6401
0.8-0.85	1051
0.85-0.9	79
0.9-0.95	2
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.947	High Similarity	NPC180388
0.9338	High Similarity	NPC31132
0.8854	High Similarity	NPC82592
0.8854	High Similarity	NPC16082
0.8805	High Similarity	NPC470339
0.879	High Similarity	NPC281477
0.8758	High Similarity	NPC144843
0.875	High Similarity	NPC472055
0.8742	High Similarity	NPC84935
0.8742	High Similarity	NPC77679
0.8742	High Similarity	NPC190020
0.8734	High Similarity	NPC16286
0.8734	High Similarity	NPC79998
0.8704	High Similarity	NPC477689
0.8688	High Similarity	NPC45846
0.8688	High Similarity	NPC315157
0.8679	High Similarity	NPC150227
0.8679	High Similarity	NPC197751
0.8645	High Similarity	NPC8817
0.8642	High Similarity	NPC215612
0.8634	High Similarity	NPC47623
0.8634	High Similarity	NPC155302
0.8634	High Similarity	NPC161947
0.8625	High Similarity	NPC179732
0.8625	High Similarity	NPC199463
0.8625	High Similarity	NPC37543
0.8625	High Similarity	NPC143328
0.8616	High Similarity	NPC199926
0.8614	High Similarity	NPC158226
0.8608	High Similarity	NPC199773
0.8608	High Similarity	NPC295646
0.8606	High Similarity	NPC165979
0.8606	High Similarity	NPC163130
0.8598	High Similarity	NPC20237
0.8598	High Similarity	NPC13481
0.8598	High Similarity	NPC207575
0.859	High Similarity	NPC55327
0.8589	High Similarity	NPC249181
0.8581	High Similarity	NPC85734
0.8581	High Similarity	NPC32058
0.8581	High Similarity	NPC470357
0.858	High Similarity	NPC474779
0.858	High Similarity	NPC478222
0.858	High Similarity	NPC117985
0.858	High Similarity	NPC87431
0.858	High Similarity	NPC473106
0.858	High Similarity	NPC103201
0.8571	High Similarity	NPC477410
0.8571	High Similarity	NPC85121
0.8562	High Similarity	NPC5379
0.8562	High Similarity	NPC14561
0.8562	High Similarity	NPC77807
0.8562	High Similarity	NPC227062
0.8554	High Similarity	NPC109827
0.8554	High Similarity	NPC124470
0.8553	High Similarity	NPC62051
0.8553	High Similarity	NPC93552
0.8553	High Similarity	NPC273248
0.8545	High Similarity	NPC473094
0.8545	High Similarity	NPC283041
0.8545	High Similarity	NPC474024
0.8544	High Similarity	NPC75377
0.8537	High Similarity	NPC25361
0.8537	High Similarity	NPC191930
0.8537	High Similarity	NPC471788
0.8537	High Similarity	NPC102372
0.8537	High Similarity	NPC112981
0.8535	High Similarity	NPC303989
0.8528	High Similarity	NPC474763
0.8526	High Similarity	NPC137296
0.8519	High Similarity	NPC36217
0.8519	High Similarity	NPC470358
0.8519	High Similarity	NPC24627
0.8519	High Similarity	NPC292415
0.8519	High Similarity	NPC84571
0.8516	High Similarity	NPC75694
0.8512	High Similarity	NPC139350
0.8509	High Similarity	NPC178976
0.8503	High Similarity	NPC471181
0.85	High Similarity	NPC99381
0.85	High Similarity	NPC38898
0.8494	Intermediate Similarity	NPC473095
0.8494	Intermediate Similarity	NPC473096
0.8494	Intermediate Similarity	NPC99613
0.8494	Intermediate Similarity	NPC213416
0.8494	Intermediate Similarity	NPC49487
0.8491	Intermediate Similarity	NPC164912
0.8491	Intermediate Similarity	NPC268992
0.8491	Intermediate Similarity	NPC470338
0.8491	Intermediate Similarity	NPC180944
0.8491	Intermediate Similarity	NPC51824
0.8491	Intermediate Similarity	NPC113608
0.8491	Intermediate Similarity	NPC470337
0.8491	Intermediate Similarity	NPC161778
0.8491	Intermediate Similarity	NPC470340
0.8485	Intermediate Similarity	NPC235610
0.8485	Intermediate Similarity	NPC29160
0.8485	Intermediate Similarity	NPC472452
0.8485	Intermediate Similarity	NPC329119
0.8485	Intermediate Similarity	NPC43319
0.8485	Intermediate Similarity	NPC20216
0.8481	Intermediate Similarity	NPC472279
0.8481	Intermediate Similarity	NPC469670
0.8481	Intermediate Similarity	NPC96501
0.8481	Intermediate Similarity	NPC469619
0.8476	Intermediate Similarity	NPC29055
0.8476	Intermediate Similarity	NPC197168
0.8476	Intermediate Similarity	NPC236132
0.8476	Intermediate Similarity	NPC156082
0.8476	Intermediate Similarity	NPC7483
0.8476	Intermediate Similarity	NPC270837
0.8476	Intermediate Similarity	NPC475055
0.8476	Intermediate Similarity	NPC317781
0.8471	Intermediate Similarity	NPC470359
0.8471	Intermediate Similarity	NPC212290
0.8466	Intermediate Similarity	NPC349525
0.8466	Intermediate Similarity	NPC311740
0.8462	Intermediate Similarity	NPC107625
0.8447	Intermediate Similarity	NPC25850
0.8447	Intermediate Similarity	NPC472050
0.8447	Intermediate Similarity	NPC276815
0.8447	Intermediate Similarity	NPC54928
0.8443	Intermediate Similarity	NPC239440
0.8443	Intermediate Similarity	NPC20543
0.8443	Intermediate Similarity	NPC17219
0.8442	Intermediate Similarity	NPC314271
0.8442	Intermediate Similarity	NPC11314
0.8438	Intermediate Similarity	NPC116850
0.8438	Intermediate Similarity	NPC197188
0.8438	Intermediate Similarity	NPC291510
0.8438	Intermediate Similarity	NPC107109
0.8438	Intermediate Similarity	NPC287504
0.8438	Intermediate Similarity	NPC43872
0.8438	Intermediate Similarity	NPC474000
0.8438	Intermediate Similarity	NPC238672
0.8438	Intermediate Similarity	NPC144801
0.8438	Intermediate Similarity	NPC298802
0.8438	Intermediate Similarity	NPC25127
0.8434	Intermediate Similarity	NPC232936
0.8434	Intermediate Similarity	NPC477154
0.8434	Intermediate Similarity	NPC117854
0.8434	Intermediate Similarity	NPC218226
0.8434	Intermediate Similarity	NPC6588
0.8434	Intermediate Similarity	NPC234331
0.8428	Intermediate Similarity	NPC215921
0.8428	Intermediate Similarity	NPC70016
0.8428	Intermediate Similarity	NPC118427
0.8428	Intermediate Similarity	NPC124842
0.8428	Intermediate Similarity	NPC473201
0.8428	Intermediate Similarity	NPC302783
0.8424	Intermediate Similarity	NPC146584
0.8424	Intermediate Similarity	NPC108433
0.8424	Intermediate Similarity	NPC21016
0.8424	Intermediate Similarity	NPC303174
0.8424	Intermediate Similarity	NPC326520
0.8424	Intermediate Similarity	NPC327652
0.8424	Intermediate Similarity	NPC472049
0.8424	Intermediate Similarity	NPC475888
0.8421	Intermediate Similarity	NPC208069
0.8415	Intermediate Similarity	NPC201800
0.8415	Intermediate Similarity	NPC472964
0.8415	Intermediate Similarity	NPC294965
0.8415	Intermediate Similarity	NPC211107
0.8415	Intermediate Similarity	NPC48860
0.8415	Intermediate Similarity	NPC478229
0.8409	Intermediate Similarity	NPC314020
0.8405	Intermediate Similarity	NPC228785
0.8405	Intermediate Similarity	NPC14353
0.8405	Intermediate Similarity	NPC472902
0.8405	Intermediate Similarity	NPC321399
0.8405	Intermediate Similarity	NPC472962
0.8405	Intermediate Similarity	NPC472961
0.8405	Intermediate Similarity	NPC130955
0.8405	Intermediate Similarity	NPC56085
0.8395	Intermediate Similarity	NPC283301
0.8395	Intermediate Similarity	NPC35598
0.8395	Intermediate Similarity	NPC299520
0.8395	Intermediate Similarity	NPC472598
0.8395	Intermediate Similarity	NPC129684
0.8395	Intermediate Similarity	NPC474055
0.8395	Intermediate Similarity	NPC291508
0.8395	Intermediate Similarity	NPC78103
0.8395	Intermediate Similarity	NPC222689
0.8393	Intermediate Similarity	NPC472620
0.8387	Intermediate Similarity	NPC258307
0.8385	Intermediate Similarity	NPC134287
0.8385	Intermediate Similarity	NPC472048
0.8385	Intermediate Similarity	NPC130589
0.8385	Intermediate Similarity	NPC286052
0.8385	Intermediate Similarity	NPC68727
0.8385	Intermediate Similarity	NPC470327
0.8385	Intermediate Similarity	NPC477503
0.8385	Intermediate Similarity	NPC45849
0.8385	Intermediate Similarity	NPC200761
0.8377	Intermediate Similarity	NPC130485
0.8375	Intermediate Similarity	NPC324233
0.8375	Intermediate Similarity	NPC178574
0.8375	Intermediate Similarity	NPC3744
0.8375	Intermediate Similarity	NPC273483
0.8375	Intermediate Similarity	NPC167903

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC302258 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	289
0.1-0.2	881
0.2-0.3	1865
0.3-0.4	2500
0.4-0.5	1949
0.5-0.6	1053
0.6-0.7	447
0.7-0.8	164
0.8-0.85	10
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8516	High Similarity	NPD2533	Approved
0.8516	High Similarity	NPD2532	Approved
0.8516	High Similarity	NPD2534	Approved
0.8485	Intermediate Similarity	NPD7473	Discontinued
0.8415	Intermediate Similarity	NPD6232	Discontinued
0.821	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8166	Intermediate Similarity	NPD5844	Phase 1
0.8148	Intermediate Similarity	NPD1934	Approved
0.8114	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD6234	Discontinued
0.8	Intermediate Similarity	NPD3818	Discontinued
0.8	Intermediate Similarity	NPD3882	Suspended
0.8	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7988	Intermediate Similarity	NPD2801	Approved
0.7927	Intermediate Similarity	NPD37	Approved
0.7914	Intermediate Similarity	NPD4380	Phase 2
0.7898	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7892	Intermediate Similarity	NPD4966	Approved
0.7892	Intermediate Similarity	NPD4967	Phase 2
0.7892	Intermediate Similarity	NPD4965	Approved
0.7885	Intermediate Similarity	NPD2935	Discontinued
0.7882	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7882	Intermediate Similarity	NPD6166	Phase 2
0.7882	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7879	Intermediate Similarity	NPD7819	Suspended
0.787	Intermediate Similarity	NPD5711	Approved
0.787	Intermediate Similarity	NPD5710	Approved
0.7857	Intermediate Similarity	NPD5494	Approved
0.7844	Intermediate Similarity	NPD7075	Discontinued
0.7834	Intermediate Similarity	NPD2346	Discontinued
0.7831	Intermediate Similarity	NPD3817	Phase 2
0.7829	Intermediate Similarity	NPD8312	Approved
0.7829	Intermediate Similarity	NPD8313	Approved
0.7821	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7816	Intermediate Similarity	NPD6559	Discontinued
0.7803	Intermediate Similarity	NPD7074	Phase 3
0.7791	Intermediate Similarity	NPD7228	Approved
0.7771	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD1465	Phase 2
0.7746	Intermediate Similarity	NPD7054	Approved
0.7744	Intermediate Similarity	NPD3226	Approved
0.7716	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7711	Intermediate Similarity	NPD6801	Discontinued
0.7706	Intermediate Similarity	NPD6959	Discontinued
0.7701	Intermediate Similarity	NPD7472	Approved
0.7697	Intermediate Similarity	NPD6599	Discontinued
0.7688	Intermediate Similarity	NPD4628	Phase 3
0.7657	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD1511	Approved
0.764	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD230	Phase 1
0.7628	Intermediate Similarity	NPD447	Suspended
0.7619	Intermediate Similarity	NPD5402	Approved
0.7598	Intermediate Similarity	NPD8150	Discontinued
0.7595	Intermediate Similarity	NPD2799	Discontinued
0.7561	Intermediate Similarity	NPD1512	Approved
0.7557	Intermediate Similarity	NPD6797	Phase 2
0.7546	Intermediate Similarity	NPD6799	Approved
0.753	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD2800	Approved
0.7516	Intermediate Similarity	NPD6674	Discontinued
0.7514	Intermediate Similarity	NPD7251	Discontinued
0.7514	Intermediate Similarity	NPD7685	Pre-registration
0.75	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7472	Intermediate Similarity	NPD7808	Phase 3
0.7471	Intermediate Similarity	NPD7768	Phase 2
0.7469	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD3750	Approved
0.7468	Intermediate Similarity	NPD1607	Approved
0.744	Intermediate Similarity	NPD7411	Suspended
0.7438	Intermediate Similarity	NPD1551	Phase 2
0.7438	Intermediate Similarity	NPD5406	Approved
0.7438	Intermediate Similarity	NPD5405	Approved
0.7438	Intermediate Similarity	NPD5408	Approved
0.7438	Intermediate Similarity	NPD5404	Approved
0.7436	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7412	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.741	Intermediate Similarity	NPD5403	Approved
0.7407	Intermediate Similarity	NPD7435	Discontinued
0.7396	Intermediate Similarity	NPD8151	Discontinued
0.7384	Intermediate Similarity	NPD919	Approved
0.7375	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD1510	Phase 2
0.7372	Intermediate Similarity	NPD3027	Phase 3
0.7362	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD6651	Approved
0.7346	Intermediate Similarity	NPD1549	Phase 2
0.7345	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD943	Approved
0.7342	Intermediate Similarity	NPD1240	Approved
0.734	Intermediate Similarity	NPD6780	Approved
0.734	Intermediate Similarity	NPD6779	Approved
0.734	Intermediate Similarity	NPD6781	Approved
0.734	Intermediate Similarity	NPD6776	Approved
0.734	Intermediate Similarity	NPD6778	Approved
0.734	Intermediate Similarity	NPD6782	Approved
0.734	Intermediate Similarity	NPD6777	Approved
0.7325	Intermediate Similarity	NPD2313	Discontinued
0.7318	Intermediate Similarity	NPD7240	Approved
0.7317	Intermediate Similarity	NPD6190	Approved
0.7308	Intermediate Similarity	NPD8434	Phase 2
0.7301	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD7199	Phase 2
0.7299	Intermediate Similarity	NPD8127	Discontinued
0.7289	Intermediate Similarity	NPD5401	Approved
0.7289	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7288	Intermediate Similarity	NPD3751	Discontinued
0.7284	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7284	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7263	Intermediate Similarity	NPD6823	Phase 2
0.7256	Intermediate Similarity	NPD8166	Discontinued
0.7256	Intermediate Similarity	NPD7003	Approved
0.7233	Intermediate Similarity	NPD4060	Phase 1
0.7225	Intermediate Similarity	NPD3749	Approved
0.7222	Intermediate Similarity	NPD2796	Approved
0.7222	Intermediate Similarity	NPD2438	Suspended
0.7219	Intermediate Similarity	NPD7458	Discontinued
0.7202	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD1247	Approved
0.7179	Intermediate Similarity	NPD7874	Approved
0.7179	Intermediate Similarity	NPD7875	Clinical (unspecified phase)
0.7166	Intermediate Similarity	NPD6534	Approved
0.7166	Intermediate Similarity	NPD6535	Approved
0.7161	Intermediate Similarity	NPD1283	Approved
0.716	Intermediate Similarity	NPD1653	Approved
0.716	Intermediate Similarity	NPD3748	Approved
0.7159	Intermediate Similarity	NPD3787	Discontinued
0.7143	Intermediate Similarity	NPD6273	Approved
0.7135	Intermediate Similarity	NPD7698	Approved
0.7135	Intermediate Similarity	NPD7696	Phase 3
0.7135	Intermediate Similarity	NPD7697	Approved
0.7134	Intermediate Similarity	NPD9494	Approved
0.7126	Intermediate Similarity	NPD7390	Discontinued
0.7126	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD2979	Phase 3
0.7125	Intermediate Similarity	NPD1613	Approved
0.7125	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD3926	Phase 2
0.711	Intermediate Similarity	NPD5353	Approved
0.7107	Intermediate Similarity	NPD7985	Registered
0.7104	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD920	Approved
0.7098	Intermediate Similarity	NPD8319	Approved
0.7098	Intermediate Similarity	NPD8320	Phase 1
0.7098	Intermediate Similarity	NPD7870	Phase 2
0.7098	Intermediate Similarity	NPD7871	Phase 2
0.7097	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7083	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7081	Intermediate Similarity	NPD1933	Approved
0.7081	Intermediate Similarity	NPD5124	Phase 1
0.7077	Intermediate Similarity	NPD7701	Phase 2
0.7073	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7072	Intermediate Similarity	NPD5953	Discontinued
0.7068	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD4626	Approved
0.7056	Intermediate Similarity	NPD7801	Approved
0.7056	Intermediate Similarity	NPD7286	Phase 2
0.7053	Intermediate Similarity	NPD7700	Phase 2
0.7053	Intermediate Similarity	NPD7699	Phase 2
0.7048	Intermediate Similarity	NPD4110	Phase 3
0.7048	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7022	Intermediate Similarity	NPD5242	Approved
0.7019	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7019	Intermediate Similarity	NPD3620	Phase 2
0.7016	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD6099	Approved
0.7012	Intermediate Similarity	NPD6100	Approved
0.7006	Intermediate Similarity	NPD1203	Approved
0.7006	Intermediate Similarity	NPD1470	Approved
0.7	Intermediate Similarity	NPD411	Approved
0.7	Intermediate Similarity	NPD3764	Approved
0.6993	Remote Similarity	NPD5691	Approved
0.6988	Remote Similarity	NPD1243	Approved
0.6982	Remote Similarity	NPD642	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD6832	Phase 2
0.6975	Remote Similarity	NPD6355	Discontinued
0.6975	Remote Similarity	NPD1899	Clinical (unspecified phase)
0.697	Remote Similarity	NPD6005	Phase 3
0.697	Remote Similarity	NPD5762	Approved
0.697	Remote Similarity	NPD5763	Approved
0.697	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.697	Remote Similarity	NPD7783	Phase 2
0.697	Remote Similarity	NPD6004	Phase 3
0.697	Remote Similarity	NPD7266	Discontinued
0.697	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.697	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.697	Remote Similarity	NPD6002	Phase 3
0.6968	Remote Similarity	NPD1281	Approved
0.6962	Remote Similarity	NPD2798	Approved
0.694	Remote Similarity	NPD7039	Approved
0.694	Remote Similarity	NPD7038	Approved
0.6936	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6936	Remote Similarity	NPD6386	Approved
0.6936	Remote Similarity	NPD6385	Approved

Structure

CID302258 OpenBabel06191716112D 27 29 0 0 1 0 0 0 0 0999 V2000 -2.5981 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -3.5000 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 -6.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -5.0000 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 -3.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 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 -4.3301 -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 -4.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 1 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 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 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 -1.7321 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 4 10 1 0 0 0 0 5 25 1 0 0 0 0 6 8 2 0 0 0 0 7 11 1 0 0 0 0 7 26 1 0 0 0 0 8 20 1 0 0 0 0 9 3 1 6 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 21 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 18 1 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 23 1 6 0 0 0 17 19 1 0 0 0 0 17 27 1 1 0 0 0 18 25 1 0 0 0 0 19 27 1 1 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	50901252
ChEMBL	CHEMBL1641931
ZINC

Physicochemical Properties

Molecular Weight:	376.15
ALogP:	-0.124
MLogP:	2.89
XLogP:	0.862
# Rotatable Bonds:	13
Polar Surface Area:	105.59
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	27

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