NPASS Natural Product

Natural Product: NPC471451

Natural Product ID:	NPC471451
Common Name:	Bombamalone B
IUPAC Name:
Synonyms:	bombamalone B
Molecular Formula:	C18H16O5
Standard InCHIKey:	VMMFPHJFSTXENR-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H16O5/c1-8-14(19)15(20)12-11-9(17(2,3)23-16(8)11)7-10-13(12)18(4,21)5-6-22-10/h5-7,21H,1-4H3
Canonical SMILES:	O=C1C(=C2OC(c3c2c(C1=O)c1c(c3)OC=CC1(C)O)(C)C)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
NPO29953	Bombax malabaricum	Species	Malvaceae	Eukaryota				PMID[17764148]

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
NPT2511	Cell Line	HGC-27	Homo sapiens	IC50	>	10000	nM	15769157

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 NPC471451 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	240
0.1-0.2	1114
0.2-0.3	1963
0.3-0.4	4375
0.4-0.5	8050
0.5-0.6	3535
0.6-0.7	4484
0.7-0.8	5940
0.8-0.85	1120
0.85-0.9	68
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8921	High Similarity	NPC263817
0.88	High Similarity	NPC271681
0.8767	High Similarity	NPC471305
0.8742	High Similarity	NPC210942
0.8742	High Similarity	NPC169990
0.8733	High Similarity	NPC230848
0.8701	High Similarity	NPC470810
0.8652	High Similarity	NPC59459
0.8645	High Similarity	NPC472261
0.8645	High Similarity	NPC117985
0.8639	High Similarity	NPC475201
0.8627	High Similarity	NPC478223
0.8618	High Similarity	NPC329844
0.8609	High Similarity	NPC474417
0.8609	High Similarity	NPC149526
0.8609	High Similarity	NPC478148
0.86	High Similarity	NPC65775
0.86	High Similarity	NPC329933
0.86	High Similarity	NPC80370
0.86	High Similarity	NPC100985
0.86	High Similarity	NPC288036
0.86	High Similarity	NPC97029
0.86	High Similarity	NPC97028
0.86	High Similarity	NPC65589
0.86	High Similarity	NPC10027
0.86	High Similarity	NPC158338
0.8591	High Similarity	NPC34802
0.8591	High Similarity	NPC137296
0.859	High Similarity	NPC472402
0.8582	High Similarity	NPC312560
0.8581	High Similarity	NPC478019
0.8581	High Similarity	NPC313368
0.8581	High Similarity	NPC75694
0.8571	High Similarity	NPC277369
0.8571	High Similarity	NPC3732
0.8571	High Similarity	NPC164110
0.8571	High Similarity	NPC246647
0.8571	High Similarity	NPC215451
0.8571	High Similarity	NPC96342
0.8571	High Similarity	NPC212967
0.8571	High Similarity	NPC268360
0.8571	High Similarity	NPC158542
0.8571	High Similarity	NPC44199
0.8553	High Similarity	NPC477690
0.8553	High Similarity	NPC470340
0.8553	High Similarity	NPC40356
0.8553	High Similarity	NPC154683
0.8552	High Similarity	NPC470407
0.8543	High Similarity	NPC225854
0.8543	High Similarity	NPC119929
0.8543	High Similarity	NPC202595
0.8543	High Similarity	NPC470568
0.8543	High Similarity	NPC290954
0.8543	High Similarity	NPC13282
0.8543	High Similarity	NPC147735
0.8543	High Similarity	NPC255641
0.8543	High Similarity	NPC158866
0.8542	High Similarity	NPC119542
0.8533	High Similarity	NPC472841
0.8533	High Similarity	NPC27221
0.8533	High Similarity	NPC256672
0.8533	High Similarity	NPC7025
0.8533	High Similarity	NPC37139
0.8531	High Similarity	NPC22644
0.8523	High Similarity	NPC470357
0.8516	High Similarity	NPC477692
0.8514	High Similarity	NPC184702
0.8506	High Similarity	NPC180924
0.8497	Intermediate Similarity	NPC155686
0.8497	Intermediate Similarity	NPC135522
0.8497	Intermediate Similarity	NPC178964
0.8497	Intermediate Similarity	NPC95842
0.8497	Intermediate Similarity	NPC472799
0.8497	Intermediate Similarity	NPC477691
0.8497	Intermediate Similarity	NPC280530
0.8493	Intermediate Similarity	NPC109007
0.8491	Intermediate Similarity	NPC473094
0.8487	Intermediate Similarity	NPC232645
0.8487	Intermediate Similarity	NPC46882
0.8487	Intermediate Similarity	NPC72958
0.8487	Intermediate Similarity	NPC132990
0.8487	Intermediate Similarity	NPC258249
0.8487	Intermediate Similarity	NPC470569
0.8481	Intermediate Similarity	NPC314653
0.8481	Intermediate Similarity	NPC316262
0.8477	Intermediate Similarity	NPC317492
0.8471	Intermediate Similarity	NPC478229
0.8467	Intermediate Similarity	NPC7943
0.8467	Intermediate Similarity	NPC289042
0.8467	Intermediate Similarity	NPC17101
0.8467	Intermediate Similarity	NPC312929
0.8467	Intermediate Similarity	NPC22005
0.8467	Intermediate Similarity	NPC245584
0.8467	Intermediate Similarity	NPC123202
0.8467	Intermediate Similarity	NPC190648
0.8467	Intermediate Similarity	NPC126767
0.8467	Intermediate Similarity	NPC118027
0.8467	Intermediate Similarity	NPC8817
0.8467	Intermediate Similarity	NPC77903
0.8467	Intermediate Similarity	NPC56433
0.8456	Intermediate Similarity	NPC49282
0.8456	Intermediate Similarity	NPC28632
0.8456	Intermediate Similarity	NPC474630
0.8452	Intermediate Similarity	NPC123153
0.8452	Intermediate Similarity	NPC263483
0.8452	Intermediate Similarity	NPC143328
0.8451	Intermediate Similarity	NPC477407
0.8446	Intermediate Similarity	NPC84266
0.8442	Intermediate Similarity	NPC99199
0.8442	Intermediate Similarity	NPC148938
0.8442	Intermediate Similarity	NPC471456
0.8442	Intermediate Similarity	NPC55662
0.8442	Intermediate Similarity	NPC166054
0.8438	Intermediate Similarity	NPC473096
0.8438	Intermediate Similarity	NPC191653
0.8438	Intermediate Similarity	NPC473095
0.8431	Intermediate Similarity	NPC87708
0.8431	Intermediate Similarity	NPC268992
0.8431	Intermediate Similarity	NPC113608
0.8431	Intermediate Similarity	NPC470338
0.8431	Intermediate Similarity	NPC175978
0.8431	Intermediate Similarity	NPC470337
0.8431	Intermediate Similarity	NPC51824
0.8431	Intermediate Similarity	NPC180944
0.8421	Intermediate Similarity	NPC476185
0.8421	Intermediate Similarity	NPC321896
0.8421	Intermediate Similarity	NPC179178
0.8421	Intermediate Similarity	NPC471115
0.8421	Intermediate Similarity	NPC150928
0.8421	Intermediate Similarity	NPC29777
0.8421	Intermediate Similarity	NPC227122
0.8421	Intermediate Similarity	NPC472633
0.8421	Intermediate Similarity	NPC294646
0.8418	Intermediate Similarity	NPC100849
0.8414	Intermediate Similarity	NPC470722
0.8414	Intermediate Similarity	NPC470721
0.8414	Intermediate Similarity	NPC156888
0.8414	Intermediate Similarity	NPC6100
0.8411	Intermediate Similarity	NPC168085
0.8408	Intermediate Similarity	NPC478134
0.8408	Intermediate Similarity	NPC478222
0.84	Intermediate Similarity	NPC225173
0.84	Intermediate Similarity	NPC163846
0.84	Intermediate Similarity	NPC300540
0.8397	Intermediate Similarity	NPC218818
0.8397	Intermediate Similarity	NPC472299
0.8397	Intermediate Similarity	NPC239118
0.8397	Intermediate Similarity	NPC324736
0.8397	Intermediate Similarity	NPC4950
0.8389	Intermediate Similarity	NPC260152
0.8389	Intermediate Similarity	NPC469385
0.8389	Intermediate Similarity	NPC189650
0.8389	Intermediate Similarity	NPC475813
0.8387	Intermediate Similarity	NPC472050
0.838	Intermediate Similarity	NPC279596
0.8378	Intermediate Similarity	NPC232021
0.8378	Intermediate Similarity	NPC55832
0.8378	Intermediate Similarity	NPC40118
0.8378	Intermediate Similarity	NPC268204
0.8378	Intermediate Similarity	NPC49108
0.8378	Intermediate Similarity	NPC469404
0.8378	Intermediate Similarity	NPC182255
0.8378	Intermediate Similarity	NPC126534
0.8378	Intermediate Similarity	NPC52789
0.8378	Intermediate Similarity	NPC297985
0.8378	Intermediate Similarity	NPC94076
0.8378	Intermediate Similarity	NPC201297
0.8378	Intermediate Similarity	NPC26051
0.8377	Intermediate Similarity	NPC192189
0.8377	Intermediate Similarity	NPC235333
0.8377	Intermediate Similarity	NPC472462
0.8377	Intermediate Similarity	NPC93552
0.8377	Intermediate Similarity	NPC72370
0.8377	Intermediate Similarity	NPC84721
0.8377	Intermediate Similarity	NPC208806
0.8377	Intermediate Similarity	NPC193200
0.8367	Intermediate Similarity	NPC156872
0.8367	Intermediate Similarity	NPC23257
0.8366	Intermediate Similarity	NPC471675
0.8365	Intermediate Similarity	NPC136641
0.8355	Intermediate Similarity	NPC198927
0.8355	Intermediate Similarity	NPC474052
0.8355	Intermediate Similarity	NPC269420
0.8345	Intermediate Similarity	NPC471670
0.8344	Intermediate Similarity	NPC71055
0.8344	Intermediate Similarity	NPC14875
0.8344	Intermediate Similarity	NPC308200
0.8344	Intermediate Similarity	NPC284495
0.8344	Intermediate Similarity	NPC478018
0.8344	Intermediate Similarity	NPC472618
0.8344	Intermediate Similarity	NPC66991
0.8344	Intermediate Similarity	NPC125801
0.8333	Intermediate Similarity	NPC212697
0.8333	Intermediate Similarity	NPC234629
0.8333	Intermediate Similarity	NPC272196
0.8333	Intermediate Similarity	NPC281137
0.8333	Intermediate Similarity	NPC65504
0.8333	Intermediate Similarity	NPC282390
0.8333	Intermediate Similarity	NPC311741
0.8333	Intermediate Similarity	NPC246466

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC471451 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	244
0.1-0.2	872
0.2-0.3	1427
0.3-0.4	2380
0.4-0.5	2177
0.5-0.6	1269
0.6-0.7	582
0.7-0.8	198
0.8-0.85	9
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8581	High Similarity	NPD2532	Approved
0.8581	High Similarity	NPD2533	Approved
0.8581	High Similarity	NPD2534	Approved
0.8212	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8176	Intermediate Similarity	NPD6959	Discontinued
0.8141	Intermediate Similarity	NPD7819	Suspended
0.8121	Intermediate Similarity	NPD2800	Approved
0.8054	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8025	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8012	Intermediate Similarity	NPD6232	Discontinued
0.8	Intermediate Similarity	NPD3226	Approved
0.8	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD7473	Discontinued
0.7973	Intermediate Similarity	NPD1510	Phase 2
0.7949	Intermediate Similarity	NPD4380	Phase 2
0.7947	Intermediate Similarity	NPD3750	Approved
0.7901	Intermediate Similarity	NPD5711	Approved
0.7901	Intermediate Similarity	NPD5710	Approved
0.7879	Intermediate Similarity	NPD5844	Phase 1
0.7867	Intermediate Similarity	NPD2346	Discontinued
0.7857	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7838	Intermediate Similarity	NPD1607	Approved
0.78	Intermediate Similarity	NPD2796	Approved
0.78	Intermediate Similarity	NPD6100	Approved
0.78	Intermediate Similarity	NPD2935	Discontinued
0.78	Intermediate Similarity	NPD6099	Approved
0.7799	Intermediate Similarity	NPD2801	Approved
0.7778	Intermediate Similarity	NPD5494	Approved
0.7756	Intermediate Similarity	NPD920	Approved
0.775	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7748	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7736	Intermediate Similarity	NPD1934	Approved
0.7733	Intermediate Similarity	NPD3748	Approved
0.7733	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7712	Intermediate Similarity	NPD4628	Phase 3
0.7703	Intermediate Similarity	NPD1240	Approved
0.7702	Intermediate Similarity	NPD3882	Suspended
0.7697	Intermediate Similarity	NPD1549	Phase 2
0.7687	Intermediate Similarity	NPD3764	Approved
0.7677	Intermediate Similarity	NPD1511	Approved
0.7673	Intermediate Similarity	NPD7411	Suspended
0.766	Intermediate Similarity	NPD4626	Approved
0.7658	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD3749	Approved
0.7628	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD6801	Discontinued
0.7605	Intermediate Similarity	NPD3818	Discontinued
0.76	Intermediate Similarity	NPD6651	Approved
0.7597	Intermediate Similarity	NPD7003	Approved
0.7589	Intermediate Similarity	NPD5691	Approved
0.7589	Intermediate Similarity	NPD1651	Approved
0.758	Intermediate Similarity	NPD1512	Approved
0.7578	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD7229	Phase 3
0.7568	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD7390	Discontinued
0.7547	Intermediate Similarity	NPD7458	Discontinued
0.7546	Intermediate Similarity	NPD7075	Discontinued
0.7543	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7535	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7531	Intermediate Similarity	NPD3817	Phase 2
0.7529	Intermediate Similarity	NPD6559	Discontinued
0.7517	Intermediate Similarity	NPD6696	Suspended
0.7517	Intermediate Similarity	NPD1283	Approved
0.7516	Intermediate Similarity	NPD37	Approved
0.7516	Intermediate Similarity	NPD2344	Approved
0.7516	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4625	Phase 3
0.75	Intermediate Similarity	NPD2799	Discontinued
0.75	Intermediate Similarity	NPD6599	Discontinued
0.75	Intermediate Similarity	NPD3972	Approved
0.75	Intermediate Similarity	NPD4308	Phase 3
0.7485	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD4966	Approved
0.7485	Intermediate Similarity	NPD4967	Phase 2
0.7485	Intermediate Similarity	NPD4965	Approved
0.7469	Intermediate Similarity	NPD5761	Phase 2
0.7469	Intermediate Similarity	NPD5760	Phase 2
0.7467	Intermediate Similarity	NPD2979	Phase 3
0.7452	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD2313	Discontinued
0.745	Intermediate Similarity	NPD3268	Approved
0.7439	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7429	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD1243	Approved
0.741	Intermediate Similarity	NPD1247	Approved
0.7403	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD7177	Discontinued
0.7394	Intermediate Similarity	NPD6234	Discontinued
0.7389	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD7033	Discontinued
0.7384	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7381	Intermediate Similarity	NPD6166	Phase 2
0.7381	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7378	Intermediate Similarity	NPD7768	Phase 2
0.7372	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7362	Intermediate Similarity	NPD1465	Phase 2
0.7358	Intermediate Similarity	NPD6273	Approved
0.7356	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD2424	Discontinued
0.7353	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7347	Intermediate Similarity	NPD2797	Approved
0.7347	Intermediate Similarity	NPD1470	Approved
0.7342	Intermediate Similarity	NPD6799	Approved
0.7338	Intermediate Similarity	NPD5405	Approved
0.7338	Intermediate Similarity	NPD5406	Approved
0.7338	Intermediate Similarity	NPD5408	Approved
0.7338	Intermediate Similarity	NPD5404	Approved
0.7333	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD4749	Approved
0.7325	Intermediate Similarity	NPD2309	Approved
0.7314	Intermediate Similarity	NPD8434	Phase 2
0.7314	Intermediate Similarity	NPD8150	Discontinued
0.7312	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1281	Approved
0.731	Intermediate Similarity	NPD1201	Approved
0.7308	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7303	Intermediate Similarity	NPD230	Phase 1
0.7297	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD2798	Approved
0.729	Intermediate Similarity	NPD1471	Phase 3
0.729	Intermediate Similarity	NPD6002	Phase 3
0.729	Intermediate Similarity	NPD6004	Phase 3
0.729	Intermediate Similarity	NPD6005	Phase 3
0.729	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7289	Intermediate Similarity	NPD919	Approved
0.7279	Intermediate Similarity	NPD1876	Approved
0.7273	Intermediate Similarity	NPD9545	Approved
0.7266	Intermediate Similarity	NPD1609	Clinical (unspecified phase)
0.726	Intermediate Similarity	NPD1608	Approved
0.7253	Intermediate Similarity	NPD6780	Approved
0.7253	Intermediate Similarity	NPD6781	Approved
0.7253	Intermediate Similarity	NPD6777	Approved
0.7253	Intermediate Similarity	NPD6776	Approved
0.7253	Intermediate Similarity	NPD6778	Approved
0.7253	Intermediate Similarity	NPD6779	Approved
0.7253	Intermediate Similarity	NPD6782	Approved
0.7251	Intermediate Similarity	NPD7054	Approved
0.7241	Intermediate Similarity	NPD8312	Approved
0.7241	Intermediate Similarity	NPD8313	Approved
0.7237	Intermediate Similarity	NPD4307	Phase 2
0.7226	Intermediate Similarity	NPD1551	Phase 2
0.7226	Intermediate Similarity	NPD2438	Suspended
0.7219	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD5402	Approved
0.7209	Intermediate Similarity	NPD7472	Approved
0.7209	Intermediate Similarity	NPD7074	Phase 3
0.7202	Intermediate Similarity	NPD7199	Phase 2
0.7193	Intermediate Similarity	NPD3751	Discontinued
0.719	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.719	Intermediate Similarity	NPD5124	Phase 1
0.7188	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD2932	Approved
0.7172	Intermediate Similarity	NPD1778	Approved
0.7168	Intermediate Similarity	NPD6797	Phase 2
0.7163	Intermediate Similarity	NPD1241	Discontinued
0.7151	Intermediate Similarity	NPD7286	Phase 2
0.7143	Intermediate Similarity	NPD4097	Suspended
0.7135	Intermediate Similarity	NPD7435	Discontinued
0.7135	Intermediate Similarity	NPD7698	Approved
0.7135	Intermediate Similarity	NPD7696	Phase 3
0.7135	Intermediate Similarity	NPD7697	Approved
0.7133	Intermediate Similarity	NPD2861	Phase 2
0.7133	Intermediate Similarity	NPD9494	Approved
0.7126	Intermediate Similarity	NPD7251	Discontinued
0.7124	Intermediate Similarity	NPD4060	Phase 1
0.7118	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD3926	Phase 2
0.7115	Intermediate Similarity	NPD2531	Phase 2
0.7115	Intermediate Similarity	NPD4477	Approved
0.7115	Intermediate Similarity	NPD4476	Approved
0.7114	Intermediate Similarity	NPD3267	Approved
0.7114	Intermediate Similarity	NPD3266	Approved
0.7108	Intermediate Similarity	NPD4288	Approved
0.7105	Intermediate Similarity	NPD411	Approved
0.7097	Intermediate Similarity	NPD7870	Phase 2
0.7097	Intermediate Similarity	NPD7871	Phase 2
0.7095	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD7228	Approved
0.7089	Intermediate Similarity	NPD2654	Approved
0.7086	Intermediate Similarity	NPD4908	Phase 1
0.7086	Intermediate Similarity	NPD7808	Phase 3
0.7086	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD447	Suspended
0.7076	Intermediate Similarity	NPD2403	Approved
0.7073	Intermediate Similarity	NPD7028	Phase 2
0.7069	Intermediate Similarity	NPD5953	Discontinued
0.7069	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7059	Intermediate Similarity	NPD3787	Discontinued
0.7059	Intermediate Similarity	NPD8032	Phase 2
0.7055	Intermediate Similarity	NPD3019	Approved
0.7055	Intermediate Similarity	NPD17	Approved
0.7051	Intermediate Similarity	NPD3299	Clinical (unspecified phase)

Structure

NPC471451 OpenBabel07101718322D 23 26 0 0 1 0 0 0 0 0999 V2000 -0.1579 -2.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7957 1.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6369 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6849 -1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2709 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3766 -2.0438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1421 -1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 -0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5878 0.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2721 -3.0383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8544 -2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 1.0000 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 8 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 22 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 13 2 0 0 0 0 10 22 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 16 23 1 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	23642716
ChEMBL	CHEMBL249663
ZINC

Physicochemical Properties

Molecular Weight:	312.10
ALogP:	-0.1332
MLogP:	2.89
XLogP:	1.603
# Rotatable Bonds:	5
Polar Surface Area:	72.83
# H-Bond Aceptor:	4
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	23

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