NPASS Natural Product

Natural Product: NPC476749

Natural Product ID:	NPC476749
Common Name:	Buxmicrophylline E
IUPAC Name:
Synonyms:	Buxmicrophylline E
Molecular Formula:	C40H54N2O4
Standard InCHIKey:	BGXQOXKJFCPHSX-KOLHAFENSA-N
Standard InCHI:	InChI=1S/C40H54N2O4/c1-26(42(5)6)33-29(46-35(45)28-15-11-8-12-16-28)23-38(4)31-18-17-30-36(2,25-43)32(41-34(44)27-13-9-7-10-14-27)19-20-39(30)24-40(31,39)22-21-37(33,38)3/h7-16,26,29-33,43H,17-25H2,1-6H3,(H,41,44)/t26-,29+,30?,31-,32-,33-,36-,37+,38-,39+,40-/m0/s1
Canonical SMILES:	OC[C@]1(C)[C@H](CC[C@]23C1CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)C[C@H]([C@@H]2[C@@H](N(C)C)C)OC(=O)c1ccccc1)C)N=C(c1ccccc1)O
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
NPO24301	Buxus microphylla	Species	Buxaceae	Eukaryota	leaves and stems	Kunming, Yunnan, China	2007-AUG	PMID[19133780]

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	39660	nM	19133780
NPT111	Cell Line	K562	Homo sapiens	IC50	>	100000	nM	19133780

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 NPC476749 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	138
0.1-0.2	775
0.2-0.3	1565
0.3-0.4	3830
0.4-0.5	11519
0.5-0.6	11519
0.6-0.7	1427
0.7-0.8	113
0.8-0.85	2
0.85-0.9	0
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9419	High Similarity	NPC476750
0.8113	Intermediate Similarity	NPC475578
0.811	Intermediate Similarity	NPC93343
0.7987	Intermediate Similarity	NPC473922
0.7927	Intermediate Similarity	NPC275839
0.7888	Intermediate Similarity	NPC328824
0.7751	Intermediate Similarity	NPC73644
0.7736	Intermediate Similarity	NPC153007
0.7707	Intermediate Similarity	NPC132847
0.7705	Intermediate Similarity	NPC205
0.7705	Intermediate Similarity	NPC281470
0.7705	Intermediate Similarity	NPC172769
0.7705	Intermediate Similarity	NPC184195
0.7705	Intermediate Similarity	NPC124690
0.7705	Intermediate Similarity	NPC166521
0.7683	Intermediate Similarity	NPC476757
0.759	Intermediate Similarity	NPC470274
0.7561	Intermediate Similarity	NPC44649
0.7554	Intermediate Similarity	NPC108276
0.7554	Intermediate Similarity	NPC163578
0.7547	Intermediate Similarity	NPC203486
0.75	Intermediate Similarity	NPC40539
0.7486	Intermediate Similarity	NPC327699
0.7485	Intermediate Similarity	NPC235460
0.7471	Intermediate Similarity	NPC217801
0.7468	Intermediate Similarity	NPC72915
0.7451	Intermediate Similarity	NPC109151
0.7438	Intermediate Similarity	NPC126516
0.7438	Intermediate Similarity	NPC48929
0.736	Intermediate Similarity	NPC476751
0.7358	Intermediate Similarity	NPC470278
0.7333	Intermediate Similarity	NPC203005
0.7329	Intermediate Similarity	NPC329913
0.7325	Intermediate Similarity	NPC473220
0.7325	Intermediate Similarity	NPC470753
0.7312	Intermediate Similarity	NPC313663
0.7294	Intermediate Similarity	NPC279442
0.7261	Intermediate Similarity	NPC275576
0.7261	Intermediate Similarity	NPC470765
0.7249	Intermediate Similarity	NPC215892
0.7249	Intermediate Similarity	NPC191193
0.7249	Intermediate Similarity	NPC242662
0.7249	Intermediate Similarity	NPC321072
0.7215	Intermediate Similarity	NPC169913
0.7212	Intermediate Similarity	NPC234548
0.7212	Intermediate Similarity	NPC248287
0.7211	Intermediate Similarity	NPC471606
0.7211	Intermediate Similarity	NPC208553
0.7211	Intermediate Similarity	NPC181964
0.7205	Intermediate Similarity	NPC3202
0.7195	Intermediate Similarity	NPC262324
0.7188	Intermediate Similarity	NPC475138
0.7186	Intermediate Similarity	NPC477468
0.7173	Intermediate Similarity	NPC473558
0.716	Intermediate Similarity	NPC472656
0.7157	Intermediate Similarity	NPC476496
0.7152	Intermediate Similarity	NPC473301
0.7128	Intermediate Similarity	NPC473300
0.7128	Intermediate Similarity	NPC453583
0.7128	Intermediate Similarity	NPC475336
0.711	Intermediate Similarity	NPC472658
0.711	Intermediate Similarity	NPC472657
0.7108	Intermediate Similarity	NPC79921
0.7107	Intermediate Similarity	NPC210950
0.7107	Intermediate Similarity	NPC199738
0.7101	Intermediate Similarity	NPC472556
0.7095	Intermediate Similarity	NPC30171
0.7091	Intermediate Similarity	NPC243893
0.709	Intermediate Similarity	NPC33372
0.709	Intermediate Similarity	NPC67246
0.7083	Intermediate Similarity	NPC473490
0.7076	Intermediate Similarity	NPC270590
0.7076	Intermediate Similarity	NPC266265
0.7076	Intermediate Similarity	NPC92293
0.7076	Intermediate Similarity	NPC301556
0.7076	Intermediate Similarity	NPC471101
0.7073	Intermediate Similarity	NPC106593
0.7073	Intermediate Similarity	NPC232888
0.7073	Intermediate Similarity	NPC477367
0.7066	Intermediate Similarity	NPC242355
0.7059	Intermediate Similarity	NPC140311
0.7059	Intermediate Similarity	NPC473602
0.7041	Intermediate Similarity	NPC475122
0.7039	Intermediate Similarity	NPC473667
0.7037	Intermediate Similarity	NPC471754
0.7037	Intermediate Similarity	NPC317882
0.7033	Intermediate Similarity	NPC475427
0.7025	Intermediate Similarity	NPC285394
0.7025	Intermediate Similarity	NPC473938
0.7022	Intermediate Similarity	NPC71205
0.702	Intermediate Similarity	NPC94687
0.702	Intermediate Similarity	NPC476495
0.702	Intermediate Similarity	NPC106840
0.7018	Intermediate Similarity	NPC281717
0.7012	Intermediate Similarity	NPC477368
0.7012	Intermediate Similarity	NPC28836
0.7006	Intermediate Similarity	NPC160493
0.7	Intermediate Similarity	NPC472575
0.7	Intermediate Similarity	NPC469349
0.7	Intermediate Similarity	NPC472572
0.7	Intermediate Similarity	NPC174982
0.7	Intermediate Similarity	NPC476973
0.7	Intermediate Similarity	NPC472568
0.7	Intermediate Similarity	NPC177940
0.7	Intermediate Similarity	NPC472571
0.7	Intermediate Similarity	NPC70403
0.7	Intermediate Similarity	NPC470159
0.7	Intermediate Similarity	NPC200471
0.7	Intermediate Similarity	NPC158663
0.7	Intermediate Similarity	NPC96903
0.7	Intermediate Similarity	NPC29704
0.7	Intermediate Similarity	NPC471104
0.7	Intermediate Similarity	NPC184817
0.7	Intermediate Similarity	NPC171525
0.7	Intermediate Similarity	NPC470157
0.7	Intermediate Similarity	NPC473088
0.6994	Remote Similarity	NPC233692
0.699	Remote Similarity	NPC289383
0.6988	Remote Similarity	NPC249817
0.6988	Remote Similarity	NPC475373
0.6982	Remote Similarity	NPC163087
0.6982	Remote Similarity	NPC91703
0.6981	Remote Similarity	NPC4974
0.6979	Remote Similarity	NPC108804
0.6979	Remote Similarity	NPC476218
0.697	Remote Similarity	NPC471864
0.697	Remote Similarity	NPC326895
0.697	Remote Similarity	NPC11266
0.6964	Remote Similarity	NPC224491
0.6954	Remote Similarity	NPC116862
0.6951	Remote Similarity	NPC477364
0.6951	Remote Similarity	NPC472248
0.6949	Remote Similarity	NPC476784
0.6947	Remote Similarity	NPC473400
0.6947	Remote Similarity	NPC471629
0.6947	Remote Similarity	NPC206211
0.6947	Remote Similarity	NPC306001
0.6947	Remote Similarity	NPC275170
0.6947	Remote Similarity	NPC324251
0.6946	Remote Similarity	NPC475482
0.6946	Remote Similarity	NPC22676
0.6946	Remote Similarity	NPC216940
0.6946	Remote Similarity	NPC198621
0.6941	Remote Similarity	NPC472570
0.6941	Remote Similarity	NPC70716
0.6941	Remote Similarity	NPC163719
0.6941	Remote Similarity	NPC241951
0.6941	Remote Similarity	NPC188865
0.6941	Remote Similarity	NPC470152
0.6941	Remote Similarity	NPC125106
0.6941	Remote Similarity	NPC11685
0.6941	Remote Similarity	NPC95810
0.6941	Remote Similarity	NPC25768
0.6941	Remote Similarity	NPC472573
0.6941	Remote Similarity	NPC95265
0.6941	Remote Similarity	NPC475759
0.6941	Remote Similarity	NPC472569
0.6941	Remote Similarity	NPC476974
0.6941	Remote Similarity	NPC57628
0.6936	Remote Similarity	NPC475561
0.6936	Remote Similarity	NPC325032
0.6936	Remote Similarity	NPC477483
0.6936	Remote Similarity	NPC475417
0.6936	Remote Similarity	NPC125033
0.6933	Remote Similarity	NPC246913
0.6928	Remote Similarity	NPC202729
0.6928	Remote Similarity	NPC472372
0.6928	Remote Similarity	NPC477874
0.6928	Remote Similarity	NPC173569
0.6928	Remote Similarity	NPC477358
0.6928	Remote Similarity	NPC472374
0.6927	Remote Similarity	NPC476206
0.6927	Remote Similarity	NPC476205
0.6927	Remote Similarity	NPC259791
0.6927	Remote Similarity	NPC476129
0.6927	Remote Similarity	NPC253738
0.6927	Remote Similarity	NPC476256
0.6927	Remote Similarity	NPC476212
0.6927	Remote Similarity	NPC476257
0.6927	Remote Similarity	NPC476207
0.6923	Remote Similarity	NPC475135
0.6923	Remote Similarity	NPC472392
0.6919	Remote Similarity	NPC476500
0.6919	Remote Similarity	NPC66894
0.6919	Remote Similarity	NPC8102
0.6909	Remote Similarity	NPC311492
0.6909	Remote Similarity	NPC477359
0.6906	Remote Similarity	NPC475567
0.6906	Remote Similarity	NPC477491
0.6906	Remote Similarity	NPC473557
0.6906	Remote Similarity	NPC473468
0.6901	Remote Similarity	NPC478264
0.6901	Remote Similarity	NPC134131
0.6901	Remote Similarity	NPC25043
0.6899	Remote Similarity	NPC26285
0.6897	Remote Similarity	NPC470153
0.6894	Remote Similarity	NPC171007
0.6894	Remote Similarity	NPC190849
0.6894	Remote Similarity	NPC472706
0.689	Remote Similarity	NPC233860

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC476749 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	127
0.1-0.2	482
0.2-0.3	823
0.3-0.4	1507
0.4-0.5	3180
0.5-0.6	2598
0.6-0.7	426
0.7-0.8	18
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
0.775	Intermediate Similarity	NPD7702	Clinical (unspecified phase)
0.7701	Intermediate Similarity	NPD7997	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD7714	Approved
0.7312	Intermediate Similarity	NPD7715	Approved
0.7312	Intermediate Similarity	NPD7713	Phase 3
0.7251	Intermediate Similarity	NPD6591	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD8485	Approved
0.7202	Intermediate Similarity	NPD7236	Approved
0.7197	Intermediate Similarity	NPD6330	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD3528	Clinical (unspecified phase)
0.7165	Intermediate Similarity	NPD7497	Discontinued
0.7098	Intermediate Similarity	NPD8486	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD7239	Suspended
0.7059	Intermediate Similarity	NPD8424	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD5157	Phase 1
0.7025	Intermediate Similarity	NPD5159	Phase 2
0.7025	Intermediate Similarity	NPD5158	Clinical (unspecified phase)
0.7006	Intermediate Similarity	NPD6287	Discontinued
0.6982	Remote Similarity	NPD7488	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD6273	Approved
0.6975	Remote Similarity	NPD7008	Discontinued
0.6975	Remote Similarity	NPD5952	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD8146	Phase 2
0.6902	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.6895	Remote Similarity	NPD8360	Approved
0.6895	Remote Similarity	NPD8361	Approved
0.6867	Remote Similarity	NPD6817	Clinical (unspecified phase)
0.6842	Remote Similarity	NPD8131	Suspended
0.6842	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD7011	Discontinued
0.6826	Remote Similarity	NPD8148	Approved
0.6826	Remote Similarity	NPD8147	Approved
0.6826	Remote Similarity	NPD2569	Approved
0.6826	Remote Similarity	NPD2567	Approved
0.6806	Remote Similarity	NPD8435	Approved
0.6768	Remote Similarity	NPD6039	Approved
0.6746	Remote Similarity	NPD6897	Clinical (unspecified phase)
0.6708	Remote Similarity	NPD6025	Phase 1
0.6701	Remote Similarity	NPD7565	Approved
0.6685	Remote Similarity	NPD8005	Clinical (unspecified phase)
0.6684	Remote Similarity	NPD8407	Phase 2
0.6667	Remote Similarity	NPD8165	Discontinued
0.6667	Remote Similarity	NPD2199	Approved
0.6667	Remote Similarity	NPD5667	Approved
0.6667	Remote Similarity	NPD2198	Approved
0.6647	Remote Similarity	NPD7740	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD6310	Approved
0.6647	Remote Similarity	NPD6309	Approved
0.6647	Remote Similarity	NPD6311	Approved
0.6647	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD7084	Phase 3
0.6646	Remote Similarity	NPD5108	Clinical (unspecified phase)
0.663	Remote Similarity	NPD7058	Phase 2
0.663	Remote Similarity	NPD7057	Phase 3
0.6626	Remote Similarity	NPD2625	Approved
0.6626	Remote Similarity	NPD2160	Approved
0.6626	Remote Similarity	NPD2627	Approved
0.6626	Remote Similarity	NPD2628	Approved
0.6626	Remote Similarity	NPD2159	Approved
0.6626	Remote Similarity	NPD2626	Approved
0.6625	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6614	Remote Similarity	NPD8368	Discontinued
0.6608	Remote Similarity	NPD2174	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD5202	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD5951	Approved
0.6603	Remote Similarity	NPD4766	Approved
0.6595	Remote Similarity	NPD8051	Clinical (unspecified phase)
0.6592	Remote Similarity	NPD6677	Suspended
0.659	Remote Similarity	NPD8166	Discontinued
0.659	Remote Similarity	NPD7003	Approved
0.6587	Remote Similarity	NPD7961	Discontinued
0.6585	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6584	Remote Similarity	NPD4215	Approved
0.6584	Remote Similarity	NPD4217	Approved
0.6584	Remote Similarity	NPD4216	Approved
0.6584	Remote Similarity	NPD3131	Approved
0.6584	Remote Similarity	NPD2611	Approved
0.6584	Remote Similarity	NPD2612	Approved
0.6584	Remote Similarity	NPD8161	Suspended
0.6584	Remote Similarity	NPD5618	Discontinued
0.6584	Remote Similarity	NPD2609	Approved
0.6584	Remote Similarity	NPD4218	Approved
0.6584	Remote Similarity	NPD2608	Approved
0.6584	Remote Similarity	NPD3132	Approved
0.6584	Remote Similarity	NPD2610	Approved
0.6581	Remote Similarity	NPD6858	Approved
0.6581	Remote Similarity	NPD7094	Approved
0.6579	Remote Similarity	NPD8658	Clinical (unspecified phase)
0.6578	Remote Similarity	NPD7799	Discontinued
0.6578	Remote Similarity	NPD7177	Discontinued
0.6562	Remote Similarity	NPD7725	Approved
0.6562	Remote Similarity	NPD1362	Clinical (unspecified phase)
0.6559	Remote Similarity	NPD6894	Phase 1
0.6557	Remote Similarity	NPD7793	Clinical (unspecified phase)
0.6556	Remote Similarity	NPD3589	Clinical (unspecified phase)
0.6548	Remote Similarity	NPD5121	Approved
0.6548	Remote Similarity	NPD5119	Approved
0.6548	Remote Similarity	NPD3373	Approved
0.6548	Remote Similarity	NPD5120	Approved
0.6545	Remote Similarity	NPD5204	Approved
0.6541	Remote Similarity	NPD4479	Discontinued
0.6541	Remote Similarity	NPD7795	Phase 2
0.6533	Remote Similarity	NPD7810	Phase 3
0.6533	Remote Similarity	NPD7811	Phase 3
0.6527	Remote Similarity	NPD4619	Approved
0.6527	Remote Similarity	NPD4621	Approved
0.6519	Remote Similarity	NPD3123	Discovery
0.6506	Remote Similarity	NPD4620	Approved
0.6506	Remote Similarity	NPD5203	Approved
0.6506	Remote Similarity	NPD4617	Approved
0.6506	Remote Similarity	NPD5201	Approved
0.6497	Remote Similarity	NPD7613	Discontinued
0.6494	Remote Similarity	NPD5239	Approved
0.6494	Remote Similarity	NPD5235	Approved
0.6494	Remote Similarity	NPD5236	Approved
0.6494	Remote Similarity	NPD7253	Phase 3
0.6494	Remote Similarity	NPD5240	Approved
0.6494	Remote Similarity	NPD5237	Approved
0.6488	Remote Similarity	NPD6663	Approved
0.6484	Remote Similarity	NPD4874	Phase 2
0.648	Remote Similarity	NPD7570	Approved
0.648	Remote Similarity	NPD7458	Discontinued
0.648	Remote Similarity	NPD7569	Approved
0.6474	Remote Similarity	NPD7596	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD5454	Clinical (unspecified phase)
0.6467	Remote Similarity	NPD6862	Phase 2
0.6464	Remote Similarity	NPD7577	Discontinued
0.646	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6458	Remote Similarity	NPD7546	Discontinued
0.6453	Remote Similarity	NPD8320	Phase 1
0.6453	Remote Similarity	NPD8319	Approved
0.6452	Remote Similarity	NPD7315	Approved
0.645	Remote Similarity	NPD6346	Approved
0.6446	Remote Similarity	NPD3661	Approved
0.6446	Remote Similarity	NPD3664	Approved
0.6446	Remote Similarity	NPD5736	Approved
0.6446	Remote Similarity	NPD3663	Approved
0.6446	Remote Similarity	NPD3662	Phase 3
0.6444	Remote Similarity	NPD7463	Clinical (unspecified phase)
0.6443	Remote Similarity	NPD7683	Discontinued
0.6441	Remote Similarity	NPD8389	Clinical (unspecified phase)
0.6438	Remote Similarity	NPD7741	Discontinued
0.6432	Remote Similarity	NPD7238	Clinical (unspecified phase)
0.6425	Remote Similarity	NPD6556	Clinical (unspecified phase)
0.6424	Remote Similarity	NPD6563	Approved
0.6424	Remote Similarity	NPD6565	Approved
0.6424	Remote Similarity	NPD6564	Approved
0.6416	Remote Similarity	NPD7611	Approved
0.6412	Remote Similarity	NPD4686	Approved
0.6412	Remote Similarity	NPD4684	Phase 3
0.6412	Remote Similarity	NPD4685	Phase 3
0.641	Remote Similarity	NPD7693	Approved
0.6409	Remote Similarity	NPD6873	Phase 2
0.6407	Remote Similarity	NPD2613	Approved
0.6406	Remote Similarity	NPD7962	Phase 2
0.6402	Remote Similarity	NPD6620	Discovery
0.64	Remote Similarity	NPD2575	Approved
0.64	Remote Similarity	NPD6676	Phase 2
0.6398	Remote Similarity	NPD5981	Approved
0.6398	Remote Similarity	NPD8127	Discontinued
0.6393	Remote Similarity	NPD2379	Clinical (unspecified phase)
0.6391	Remote Similarity	NPD3090	Approved
0.6391	Remote Similarity	NPD2570	Approved
0.6391	Remote Similarity	NPD3088	Approved
0.6391	Remote Similarity	NPD3089	Approved
0.6391	Remote Similarity	NPD4746	Phase 3
0.6391	Remote Similarity	NPD2566	Approved
0.6391	Remote Similarity	NPD3615	Approved
0.6391	Remote Similarity	NPD4745	Approved
0.6391	Remote Similarity	NPD3616	Approved
0.6391	Remote Similarity	NPD2572	Clinical (unspecified phase)
0.6391	Remote Similarity	NPD3614	Approved
0.6391	Remote Similarity	NPD3087	Approved
0.6391	Remote Similarity	NPD2571	Approved
0.6391	Remote Similarity	NPD2573	Approved
0.6391	Remote Similarity	NPD2574	Discontinued
0.6387	Remote Similarity	NPD3823	Discontinued
0.6386	Remote Similarity	NPD4980	Approved
0.638	Remote Similarity	NPD4807	Approved
0.638	Remote Similarity	NPD4806	Approved
0.638	Remote Similarity	NPD7436	Approved
0.638	Remote Similarity	NPD7437	Approved
0.6378	Remote Similarity	NPD6315	Phase 2
0.6374	Remote Similarity	NPD6844	Discontinued
0.6369	Remote Similarity	NPD4738	Phase 2
0.6369	Remote Similarity	NPD7606	Phase 3
0.6369	Remote Similarity	NPD7427	Discontinued
0.6369	Remote Similarity	NPD2607	Approved
0.6364	Remote Similarity	NPD7295	Approved
0.6364	Remote Similarity	NPD8323	Discontinued
0.6359	Remote Similarity	NPD8150	Discontinued
0.6358	Remote Similarity	NPD5305	Approved
0.6358	Remote Similarity	NPD5306	Approved
0.6355	Remote Similarity	NPD6863	Phase 2
0.6354	Remote Similarity	NPD5030	Phase 2
0.6346	Remote Similarity	NPD2181	Clinical (unspecified phase)
0.6343	Remote Similarity	NPD6860	Clinical (unspecified phase)
0.6341	Remote Similarity	NPD7249	Approved
0.6341	Remote Similarity	NPD7250	Approved
0.6339	Remote Similarity	NPD4335	Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID	45267915
ChEMBL	CHEMBL554970
ZINC

Physicochemical Properties

Molecular Weight:	626.41
ALogP:	-0.1775
MLogP:	5.2
XLogP:	12.304
# Rotatable Bonds:	16
Polar Surface Area:	82.36
# H-Bond Aceptor:	6
# H-Bond Donor:	2
# Rings:	7
# Heavy Atoms:	46

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