NPASS Natural Product

Natural Product: NPC477241

Natural Product ID:	NPC477241
Common Name:	Lupulone C
IUPAC Name:
Synonyms:	Lupulone C
Molecular Formula:	C26H38O5
Standard InCHIKey:	HWYZDQMASKCQDN-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C26H38O5/c1-15(2)9-11-26(12-10-16(3)4)23(28)18-14-20(25(7,8)30)31-22(18)21(24(26)29)19(27)13-17(5)6/h9-10,17,20,29-30H,11-14H2,1-8H3
Canonical SMILES:	CC(CC(=O)C1=C(O)C(C(=O)C2=C1OC(C2)C(O)(C)C)(CC=C(C)C)CC=C(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
NPO13879	Humulus lupulus	Species	Cannabaceae	Eukaryota				PMID[15679315]

Biological Activity

Activity Type	# Activity
IC50	1
Others	1

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	63000	nM	15679315
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	<	40	%	15679315

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 NPC477241 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	133
0.1-0.2	710
0.2-0.3	2441
0.3-0.4	4822
0.4-0.5	11125
0.5-0.6	6752
0.6-0.7	4295
0.7-0.8	586
0.8-0.85	20
0.85-0.9	4
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9667	High Similarity	NPC239895
0.8925	High Similarity	NPC135576
0.8925	High Similarity	NPC93271
0.8526	High Similarity	NPC472734
0.8526	High Similarity	NPC472733
0.8438	Intermediate Similarity	NPC472732
0.8438	Intermediate Similarity	NPC472731
0.8351	Intermediate Similarity	NPC472730
0.8351	Intermediate Similarity	NPC472729
0.8351	Intermediate Similarity	NPC177680
0.8351	Intermediate Similarity	NPC153776
0.8351	Intermediate Similarity	NPC35717
0.8316	Intermediate Similarity	NPC469819
0.8316	Intermediate Similarity	NPC114162
0.8265	Intermediate Similarity	NPC472728
0.8265	Intermediate Similarity	NPC472727
0.8261	Intermediate Similarity	NPC103743
0.8261	Intermediate Similarity	NPC476079
0.8261	Intermediate Similarity	NPC113370
0.8065	Intermediate Similarity	NPC23622
0.8061	Intermediate Similarity	NPC27105
0.8043	Intermediate Similarity	NPC307112
0.8039	Intermediate Similarity	NPC478052
0.8039	Intermediate Similarity	NPC469852
0.8	Intermediate Similarity	NPC166554
0.798	Intermediate Similarity	NPC472687
0.798	Intermediate Similarity	NPC99657
0.798	Intermediate Similarity	NPC471330
0.798	Intermediate Similarity	NPC203388
0.798	Intermediate Similarity	NPC471331
0.7895	Intermediate Similarity	NPC295448
0.7835	Intermediate Similarity	NPC61275
0.7826	Intermediate Similarity	NPC475083
0.7822	Intermediate Similarity	NPC472753
0.7822	Intermediate Similarity	NPC469851
0.781	Intermediate Similarity	NPC38154
0.7802	Intermediate Similarity	NPC275766
0.78	Intermediate Similarity	NPC306908
0.7789	Intermediate Similarity	NPC472008
0.7789	Intermediate Similarity	NPC143025
0.7745	Intermediate Similarity	NPC472754
0.7745	Intermediate Similarity	NPC70369
0.7732	Intermediate Similarity	NPC146852
0.7723	Intermediate Similarity	NPC54705
0.77	Intermediate Similarity	NPC53844
0.7692	Intermediate Similarity	NPC162741
0.7692	Intermediate Similarity	NPC471332
0.7692	Intermediate Similarity	NPC91332
0.7692	Intermediate Similarity	NPC471333
0.7684	Intermediate Similarity	NPC472007
0.767	Intermediate Similarity	NPC472755
0.767	Intermediate Similarity	NPC473624
0.766	Intermediate Similarity	NPC11804
0.766	Intermediate Similarity	NPC68303
0.766	Intermediate Similarity	NPC307126
0.7629	Intermediate Similarity	NPC265856
0.7629	Intermediate Similarity	NPC469464
0.7629	Intermediate Similarity	NPC51004
0.7629	Intermediate Similarity	NPC51653
0.7624	Intermediate Similarity	NPC278008
0.7619	Intermediate Similarity	NPC473169
0.7604	Intermediate Similarity	NPC228415
0.7604	Intermediate Similarity	NPC87189
0.76	Intermediate Similarity	NPC21681
0.76	Intermediate Similarity	NPC472675
0.7596	Intermediate Similarity	NPC472756
0.7593	Intermediate Similarity	NPC66108
0.7579	Intermediate Similarity	NPC472009
0.7579	Intermediate Similarity	NPC469483
0.7576	Intermediate Similarity	NPC65829
0.7553	Intermediate Similarity	NPC9868
0.7551	Intermediate Similarity	NPC45579
0.7551	Intermediate Similarity	NPC30515
0.7551	Intermediate Similarity	NPC472705
0.7551	Intermediate Similarity	NPC475441
0.7547	Intermediate Similarity	NPC318363
0.7547	Intermediate Similarity	NPC475418
0.7547	Intermediate Similarity	NPC473482
0.7526	Intermediate Similarity	NPC307411
0.75	Intermediate Similarity	NPC472948
0.75	Intermediate Similarity	NPC209355
0.75	Intermediate Similarity	NPC300779
0.75	Intermediate Similarity	NPC472750
0.75	Intermediate Similarity	NPC295347
0.75	Intermediate Similarity	NPC324683
0.75	Intermediate Similarity	NPC472747
0.7477	Intermediate Similarity	NPC476190
0.7477	Intermediate Similarity	NPC228477
0.7477	Intermediate Similarity	NPC137911
0.7477	Intermediate Similarity	NPC475065
0.7477	Intermediate Similarity	NPC47951
0.7476	Intermediate Similarity	NPC128733
0.7476	Intermediate Similarity	NPC46998
0.7476	Intermediate Similarity	NPC110443
0.7476	Intermediate Similarity	NPC133907
0.7476	Intermediate Similarity	NPC474742
0.7476	Intermediate Similarity	NPC471401
0.7476	Intermediate Similarity	NPC185141
0.7475	Intermediate Similarity	NPC29798
0.7475	Intermediate Similarity	NPC248193
0.7475	Intermediate Similarity	NPC476300
0.7475	Intermediate Similarity	NPC469645
0.7475	Intermediate Similarity	NPC469692
0.7475	Intermediate Similarity	NPC282644
0.7453	Intermediate Similarity	NPC473911
0.7453	Intermediate Similarity	NPC329048
0.7453	Intermediate Similarity	NPC330011
0.7453	Intermediate Similarity	NPC469853
0.7451	Intermediate Similarity	NPC300584
0.7449	Intermediate Similarity	NPC280592
0.7449	Intermediate Similarity	NPC316228
0.7449	Intermediate Similarity	NPC474761
0.7449	Intermediate Similarity	NPC253177
0.7449	Intermediate Similarity	NPC476004
0.7449	Intermediate Similarity	NPC213636
0.7447	Intermediate Similarity	NPC16488
0.7447	Intermediate Similarity	NPC161045
0.7429	Intermediate Similarity	NPC203659
0.7429	Intermediate Similarity	NPC309190
0.7429	Intermediate Similarity	NPC472748
0.7423	Intermediate Similarity	NPC473658
0.7423	Intermediate Similarity	NPC472677
0.7423	Intermediate Similarity	NPC58532
0.7423	Intermediate Similarity	NPC260343
0.7423	Intermediate Similarity	NPC476708
0.7407	Intermediate Similarity	NPC37116
0.7407	Intermediate Similarity	NPC99760
0.7407	Intermediate Similarity	NPC473627
0.7404	Intermediate Similarity	NPC80781
0.7404	Intermediate Similarity	NPC183571
0.7404	Intermediate Similarity	NPC149371
0.74	Intermediate Similarity	NPC121825
0.74	Intermediate Similarity	NPC53685
0.7396	Intermediate Similarity	NPC164393
0.7396	Intermediate Similarity	NPC261721
0.7391	Intermediate Similarity	NPC258231
0.7383	Intermediate Similarity	NPC473807
0.7374	Intermediate Similarity	NPC230623
0.7374	Intermediate Similarity	NPC184463
0.7374	Intermediate Similarity	NPC471329
0.7374	Intermediate Similarity	NPC296114
0.7374	Intermediate Similarity	NPC111114
0.7374	Intermediate Similarity	NPC166110
0.7374	Intermediate Similarity	NPC476705
0.7374	Intermediate Similarity	NPC261607
0.7374	Intermediate Similarity	NPC475972
0.7374	Intermediate Similarity	NPC300312
0.7368	Intermediate Similarity	NPC70424
0.7368	Intermediate Similarity	NPC72464
0.7368	Intermediate Similarity	NPC31086
0.7368	Intermediate Similarity	NPC243618
0.7364	Intermediate Similarity	NPC469496
0.7364	Intermediate Similarity	NPC469463
0.7364	Intermediate Similarity	NPC469454
0.7364	Intermediate Similarity	NPC471204
0.7358	Intermediate Similarity	NPC472751
0.7358	Intermediate Similarity	NPC477125
0.7358	Intermediate Similarity	NPC253223
0.7358	Intermediate Similarity	NPC472749
0.7353	Intermediate Similarity	NPC208094
0.7353	Intermediate Similarity	NPC161147
0.7353	Intermediate Similarity	NPC134454
0.7353	Intermediate Similarity	NPC17326
0.7353	Intermediate Similarity	NPC40812
0.7353	Intermediate Similarity	NPC474977
0.7347	Intermediate Similarity	NPC307092
0.7347	Intermediate Similarity	NPC472688
0.7347	Intermediate Similarity	NPC472676
0.7339	Intermediate Similarity	NPC304180
0.7339	Intermediate Similarity	NPC179798
0.7333	Intermediate Similarity	NPC475945
0.7333	Intermediate Similarity	NPC474165
0.7333	Intermediate Similarity	NPC69171
0.7333	Intermediate Similarity	NPC475871
0.7333	Intermediate Similarity	NPC4620
0.7333	Intermediate Similarity	NPC110989
0.7333	Intermediate Similarity	NPC475321
0.7327	Intermediate Similarity	NPC36954
0.732	Intermediate Similarity	NPC312561
0.732	Intermediate Similarity	NPC38885
0.7312	Intermediate Similarity	NPC233377
0.7308	Intermediate Similarity	NPC469657
0.7308	Intermediate Similarity	NPC244456
0.7308	Intermediate Similarity	NPC304738
0.7308	Intermediate Similarity	NPC472637
0.7308	Intermediate Similarity	NPC473174
0.7308	Intermediate Similarity	NPC47880
0.7308	Intermediate Similarity	NPC181645
0.7308	Intermediate Similarity	NPC9878
0.7308	Intermediate Similarity	NPC477950
0.7308	Intermediate Similarity	NPC206079
0.7308	Intermediate Similarity	NPC195192
0.7308	Intermediate Similarity	NPC303559
0.73	Intermediate Similarity	NPC81419
0.73	Intermediate Similarity	NPC179746
0.73	Intermediate Similarity	NPC475912
0.7292	Intermediate Similarity	NPC187529
0.7283	Intermediate Similarity	NPC471220
0.7283	Intermediate Similarity	NPC315765
0.7282	Intermediate Similarity	NPC177232

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC477241 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	137
0.1-0.2	1136
0.2-0.3	3378
0.3-0.4	2832
0.4-0.5	1184
0.5-0.6	314
0.6-0.7	172
0.7-0.8	8
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7228	Intermediate Similarity	NPD5282	Discontinued
0.7157	Intermediate Similarity	NPD1698	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD4225	Approved
0.71	Intermediate Similarity	NPD5785	Approved
0.7091	Intermediate Similarity	NPD6371	Approved
0.703	Intermediate Similarity	NPD6411	Approved
0.703	Intermediate Similarity	NPD7983	Approved
0.7018	Intermediate Similarity	NPD7115	Discovery
0.6979	Remote Similarity	NPD4800	Clinical (unspecified phase)
0.6961	Remote Similarity	NPD5779	Approved
0.6961	Remote Similarity	NPD5778	Approved
0.6931	Remote Similarity	NPD46	Approved
0.6931	Remote Similarity	NPD6698	Approved
0.6907	Remote Similarity	NPD6110	Phase 1
0.6832	Remote Similarity	NPD6101	Approved
0.6832	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7331	Phase 2
0.6804	Remote Similarity	NPD5209	Approved
0.6765	Remote Similarity	NPD7838	Discovery
0.6705	Remote Similarity	NPD7341	Phase 2
0.67	Remote Similarity	NPD5786	Approved
0.6636	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6633	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD6686	Approved
0.66	Remote Similarity	NPD5363	Approved
0.66	Remote Similarity	NPD1694	Approved
0.6598	Remote Similarity	NPD8259	Clinical (unspecified phase)
0.6596	Remote Similarity	NPD8039	Approved
0.6566	Remote Similarity	NPD7154	Phase 3
0.6535	Remote Similarity	NPD5279	Phase 3
0.6531	Remote Similarity	NPD5369	Approved
0.6522	Remote Similarity	NPD6053	Discontinued
0.6505	Remote Similarity	NPD5328	Approved
0.65	Remote Similarity	NPD8515	Approved
0.65	Remote Similarity	NPD8517	Approved
0.65	Remote Similarity	NPD8516	Approved
0.65	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.65	Remote Similarity	NPD8513	Phase 3
0.6476	Remote Similarity	NPD6399	Phase 3
0.6471	Remote Similarity	NPD7524	Approved
0.6465	Remote Similarity	NPD4270	Approved
0.6465	Remote Similarity	NPD4269	Approved
0.6458	Remote Similarity	NPD4756	Discovery
0.6449	Remote Similarity	NPD7839	Suspended
0.6436	Remote Similarity	NPD1696	Phase 3
0.6436	Remote Similarity	NPD1733	Clinical (unspecified phase)
0.6429	Remote Similarity	NPD4695	Discontinued
0.6429	Remote Similarity	NPD7260	Phase 2
0.6381	Remote Similarity	NPD7637	Suspended
0.6381	Remote Similarity	NPD6079	Approved
0.6373	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6373	Remote Similarity	NPD3618	Phase 1
0.6354	Remote Similarity	NPD6933	Approved
0.6337	Remote Similarity	NPD3666	Approved
0.6337	Remote Similarity	NPD3665	Phase 1
0.6337	Remote Similarity	NPD3133	Approved
0.6337	Remote Similarity	NPD4786	Approved
0.633	Remote Similarity	NPD7638	Approved
0.63	Remote Similarity	NPD3667	Approved
0.6296	Remote Similarity	NPD4697	Phase 3
0.6293	Remote Similarity	NPD7116	Clinical (unspecified phase)
0.6283	Remote Similarity	NPD5739	Approved
0.6283	Remote Similarity	NPD6675	Approved
0.6283	Remote Similarity	NPD7128	Approved
0.6283	Remote Similarity	NPD6402	Approved
0.6273	Remote Similarity	NPD7640	Approved
0.6273	Remote Similarity	NPD7639	Approved
0.627	Remote Similarity	NPD7319	Approved
0.6263	Remote Similarity	NPD4252	Approved
0.6262	Remote Similarity	NPD7748	Approved
0.6261	Remote Similarity	NPD6372	Approved
0.6261	Remote Similarity	NPD6373	Approved
0.6261	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.625	Remote Similarity	NPD4518	Approved
0.624	Remote Similarity	NPD8074	Phase 3
0.6239	Remote Similarity	NPD8297	Approved
0.6239	Remote Similarity	NPD7902	Approved
0.6239	Remote Similarity	NPD4755	Approved
0.6239	Remote Similarity	NPD6084	Phase 2
0.6239	Remote Similarity	NPD6083	Phase 2
0.6238	Remote Similarity	NPD6695	Phase 3
0.6228	Remote Similarity	NPD6412	Phase 2
0.6226	Remote Similarity	NPD5284	Approved
0.6226	Remote Similarity	NPD5281	Approved
0.6224	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6214	Remote Similarity	NPD7334	Approved
0.6214	Remote Similarity	NPD4623	Approved
0.6214	Remote Similarity	NPD5330	Approved
0.6214	Remote Similarity	NPD7146	Approved
0.6214	Remote Similarity	NPD6409	Approved
0.6214	Remote Similarity	NPD4694	Approved
0.6214	Remote Similarity	NPD7521	Approved
0.6214	Remote Similarity	NPD5280	Approved
0.6214	Remote Similarity	NPD6684	Approved
0.6214	Remote Similarity	NPD4519	Discontinued
0.6207	Remote Similarity	NPD5955	Clinical (unspecified phase)
0.6207	Remote Similarity	NPD4634	Approved
0.6204	Remote Similarity	NPD5695	Phase 3
0.619	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.619	Remote Similarity	NPD4753	Phase 2
0.6182	Remote Similarity	NPD5696	Approved
0.6176	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD7320	Approved
0.6174	Remote Similarity	NPD6899	Approved
0.6174	Remote Similarity	NPD6881	Approved
0.6167	Remote Similarity	NPD7500	Approved
0.6161	Remote Similarity	NPD5211	Phase 2
0.616	Remote Similarity	NPD7507	Approved
0.6154	Remote Similarity	NPD6650	Approved
0.6154	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6154	Remote Similarity	NPD6649	Approved
0.6148	Remote Similarity	NPD6054	Approved
0.6148	Remote Similarity	NPD6319	Approved
0.6148	Remote Similarity	NPD6059	Approved
0.6148	Remote Similarity	NPD7299	Clinical (unspecified phase)
0.6147	Remote Similarity	NPD5222	Approved
0.6147	Remote Similarity	NPD5221	Approved
0.6147	Remote Similarity	NPD5220	Clinical (unspecified phase)
0.6146	Remote Similarity	NPD6926	Approved
0.6146	Remote Similarity	NPD6924	Approved
0.6139	Remote Similarity	NPD6435	Approved
0.6139	Remote Similarity	NPD4221	Approved
0.6139	Remote Similarity	NPD4223	Phase 3
0.6126	Remote Similarity	NPD4696	Approved
0.6126	Remote Similarity	NPD6648	Approved
0.6126	Remote Similarity	NPD5286	Approved
0.6126	Remote Similarity	NPD5285	Approved
0.6126	Remote Similarity	NPD4700	Approved
0.6124	Remote Similarity	NPD6845	Suspended
0.6117	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.6117	Remote Similarity	NPD5329	Approved
0.6098	Remote Similarity	NPD7503	Approved
0.6095	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6095	Remote Similarity	NPD6903	Approved
0.6095	Remote Similarity	NPD5737	Approved
0.6095	Remote Similarity	NPD6672	Approved
0.6091	Remote Similarity	NPD5173	Approved
0.6087	Remote Similarity	NPD5697	Approved
0.6087	Remote Similarity	NPD3704	Approved
0.6087	Remote Similarity	NPD5701	Approved
0.6078	Remote Similarity	NPD5362	Discontinued
0.6075	Remote Similarity	NPD5693	Phase 1
0.6075	Remote Similarity	NPD6050	Approved
0.6075	Remote Similarity	NPD7515	Phase 2
0.6075	Remote Similarity	NPD4810	Clinical (unspecified phase)
0.6071	Remote Similarity	NPD5223	Approved
0.6071	Remote Similarity	NPD5344	Discontinued
0.6068	Remote Similarity	NPD7102	Approved
0.6068	Remote Similarity	NPD6883	Approved
0.6068	Remote Similarity	NPD7290	Approved
0.6068	Remote Similarity	NPD2067	Discontinued
0.6055	Remote Similarity	NPD5210	Approved
0.6055	Remote Similarity	NPD4629	Approved
0.6053	Remote Similarity	NPD5141	Approved
0.605	Remote Similarity	NPD4632	Approved
0.6048	Remote Similarity	NPD6370	Approved
0.6038	Remote Similarity	NPD5370	Suspended
0.6034	Remote Similarity	NPD6011	Approved
0.6032	Remote Similarity	NPD8451	Approved
0.6019	Remote Similarity	NPD4202	Approved
0.6019	Remote Similarity	NPD3668	Phase 3
0.6019	Remote Similarity	NPD4197	Approved
0.6018	Remote Similarity	NPD5225	Approved
0.6018	Remote Similarity	NPD5226	Approved
0.6018	Remote Similarity	NPD5224	Approved
0.6018	Remote Similarity	NPD4633	Approved
0.6017	Remote Similarity	NPD8130	Phase 1
0.6017	Remote Similarity	NPD6847	Approved
0.6017	Remote Similarity	NPD7601	Clinical (unspecified phase)
0.6017	Remote Similarity	NPD6869	Approved
0.6017	Remote Similarity	NPD6617	Approved
0.6017	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6	Remote Similarity	NPD7829	Approved
0.6	Remote Similarity	NPD6008	Approved
0.6	Remote Similarity	NPD7750	Discontinued
0.6	Remote Similarity	NPD8328	Phase 3
0.6	Remote Similarity	NPD7830	Approved
0.6	Remote Similarity	NPD7642	Approved
0.5984	Remote Similarity	NPD8448	Approved
0.5983	Remote Similarity	NPD6012	Approved
0.5983	Remote Similarity	NPD6014	Approved
0.5983	Remote Similarity	NPD6013	Approved
0.5981	Remote Similarity	NPD4096	Approved
0.5981	Remote Similarity	NPD5692	Phase 3
0.5981	Remote Similarity	NPD5207	Approved
0.5978	Remote Similarity	NPD2685	Clinical (unspecified phase)
0.5968	Remote Similarity	NPD6015	Approved
0.5968	Remote Similarity	NPD6016	Approved
0.5968	Remote Similarity	NPD8444	Approved
0.5966	Remote Similarity	NPD6882	Approved
0.5965	Remote Similarity	NPD5175	Approved
0.5965	Remote Similarity	NPD4754	Approved
0.5965	Remote Similarity	NPD5174	Approved
0.5963	Remote Similarity	NPD7900	Approved
0.5963	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.5952	Remote Similarity	NPD7492	Approved
0.5948	Remote Similarity	NPD5954	Clinical (unspecified phase)
0.5941	Remote Similarity	NPD5790	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID
ChEMBL	CHEMBL481840
ZINC

Physicochemical Properties

Molecular Weight:	430.27
ALogP:	2.9913
MLogP:	3.77
XLogP:	5.366
# Rotatable Bonds:	18
Polar Surface Area:	83.83
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	31

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Similar NPs/Drugs