NPASS Natural Product

Natural Product: NPC53567

Natural Product ID:	NPC53567
Common Name:	Kazinol C
IUPAC Name:	5-[3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
Synonyms:	Kazinol C
Molecular Formula:	C30H40O4
Standard InCHIKey:	YCJJCTRPAGXWGX-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C30H40O4/c1-8-30(6,7)25-16-22(26(31)18-27(25)32)11-9-10-21-17-28(33)29(34)24(15-13-20(4)5)23(21)14-12-19(2)3/h8,12-13,16-18,31-34H,1,9-11,14-15H2,2-7H3
Canonical SMILES:	C=CC(c1cc(CCCc2cc(O)c(c(c2CC=C(C)C)CC=C(C)C)O)c(cc1O)O)(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
NPO16111	Broussonetia kazinoki	Species	Moraceae	Eukaryota				PMID[19046886]

Biological Activity

Activity Type	# Activity
IC50	2
Ki	2

Activity Type	# Activity
Individual Protein	4

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	IC50	=	22800	nM	12662101
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Ki	=	10800	nM	10.6019/CHEMBL1201861
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	IC50	=	15500	nM	10.6019/CHEMBL1201861
NPT43	Individual Protein	Tyrosinase	Agaricus bisporus	Ki	=	11200	nM	18494522

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 NPC53567 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	256
0.1-0.2	1217
0.2-0.3	2310
0.3-0.4	6742
0.4-0.5	7009
0.5-0.6	3465
0.6-0.7	6901
0.7-0.8	2593
0.8-0.85	349
0.85-0.9	33
0.9-0.95	12
0.95-1	2

Similarity Score	Similarity Level	Natural Product ID
0.9828	High Similarity	NPC237667
0.9569	High Similarity	NPC217174
0.9407	High Similarity	NPC24125
0.9397	High Similarity	NPC277588
0.9328	High Similarity	NPC39029
0.9256	High Similarity	NPC224342
0.9237	High Similarity	NPC191866
0.9206	High Similarity	NPC474453
0.916	High Similarity	NPC475245
0.9153	High Similarity	NPC144343
0.9138	High Similarity	NPC107240
0.906	High Similarity	NPC472893
0.9048	High Similarity	NPC15543
0.9	High Similarity	NPC472071
0.8966	High Similarity	NPC43525
0.8879	High Similarity	NPC165770
0.8879	High Similarity	NPC225679
0.8879	High Similarity	NPC4493
0.8879	High Similarity	NPC476632
0.8879	High Similarity	NPC268032
0.8788	High Similarity	NPC234568
0.8788	High Similarity	NPC198038
0.875	High Similarity	NPC470760
0.875	High Similarity	NPC16030
0.8729	High Similarity	NPC263753
0.8729	High Similarity	NPC117846
0.8689	High Similarity	NPC223451
0.8672	High Similarity	NPC126836
0.8667	High Similarity	NPC115808
0.8644	High Similarity	NPC166995
0.8629	High Similarity	NPC471794
0.8621	High Similarity	NPC63698
0.8621	High Similarity	NPC34864
0.8621	High Similarity	NPC61885
0.8621	High Similarity	NPC105727
0.8621	High Similarity	NPC58427
0.8621	High Similarity	NPC114392
0.8607	High Similarity	NPC176893
0.8593	High Similarity	NPC474104
0.8583	High Similarity	NPC252131
0.8547	High Similarity	NPC202647
0.8547	High Similarity	NPC228343
0.8547	High Similarity	NPC254833
0.8534	High Similarity	NPC176527
0.8529	High Similarity	NPC473845
0.8525	High Similarity	NPC206
0.8516	High Similarity	NPC28765
0.8496	Intermediate Similarity	NPC242715
0.8496	Intermediate Similarity	NPC56329
0.8487	Intermediate Similarity	NPC471179
0.8485	Intermediate Similarity	NPC108198
0.8485	Intermediate Similarity	NPC294884
0.8485	Intermediate Similarity	NPC158142
0.8485	Intermediate Similarity	NPC10314
0.8485	Intermediate Similarity	NPC313081
0.8485	Intermediate Similarity	NPC69029
0.8485	Intermediate Similarity	NPC241241
0.8485	Intermediate Similarity	NPC200557
0.8475	Intermediate Similarity	NPC224870
0.8473	Intermediate Similarity	NPC32778
0.8462	Intermediate Similarity	NPC233835
0.8448	Intermediate Similarity	NPC39664
0.8448	Intermediate Similarity	NPC118286
0.8448	Intermediate Similarity	NPC109691
0.8448	Intermediate Similarity	NPC470700
0.8448	Intermediate Similarity	NPC302681
0.8448	Intermediate Similarity	NPC39097
0.8448	Intermediate Similarity	NPC477814
0.8438	Intermediate Similarity	NPC74817
0.8438	Intermediate Similarity	NPC82679
0.8438	Intermediate Similarity	NPC293054
0.8438	Intermediate Similarity	NPC124452
0.8438	Intermediate Similarity	NPC159968
0.8438	Intermediate Similarity	NPC246620
0.8438	Intermediate Similarity	NPC324112
0.8438	Intermediate Similarity	NPC282000
0.8438	Intermediate Similarity	NPC169474
0.8438	Intermediate Similarity	NPC236791
0.8438	Intermediate Similarity	NPC476536
0.8433	Intermediate Similarity	NPC220344
0.8433	Intermediate Similarity	NPC275061
0.8433	Intermediate Similarity	NPC32630
0.8433	Intermediate Similarity	NPC132804
0.8433	Intermediate Similarity	NPC243996
0.843	Intermediate Similarity	NPC246760
0.843	Intermediate Similarity	NPC474486
0.843	Intermediate Similarity	NPC84999
0.8425	Intermediate Similarity	NPC33654
0.8421	Intermediate Similarity	NPC202846
0.8421	Intermediate Similarity	NPC143139
0.8421	Intermediate Similarity	NPC30632
0.8417	Intermediate Similarity	NPC471485
0.8417	Intermediate Similarity	NPC23804
0.8413	Intermediate Similarity	NPC136319
0.8409	Intermediate Similarity	NPC209199
0.8409	Intermediate Similarity	NPC125649
0.8403	Intermediate Similarity	NPC224527
0.839	Intermediate Similarity	NPC33728
0.839	Intermediate Similarity	NPC19808
0.8376	Intermediate Similarity	NPC54844
0.8372	Intermediate Similarity	NPC154866
0.837	Intermediate Similarity	NPC308768
0.837	Intermediate Similarity	NPC12668
0.8362	Intermediate Similarity	NPC474839
0.8362	Intermediate Similarity	NPC134829
0.8362	Intermediate Similarity	NPC99557
0.8362	Intermediate Similarity	NPC219286
0.8362	Intermediate Similarity	NPC292452
0.8362	Intermediate Similarity	NPC246056
0.8359	Intermediate Similarity	NPC103823
0.8359	Intermediate Similarity	NPC28730
0.8359	Intermediate Similarity	NPC214406
0.8359	Intermediate Similarity	NPC44748
0.8359	Intermediate Similarity	NPC78974
0.8359	Intermediate Similarity	NPC18924
0.8359	Intermediate Similarity	NPC223136
0.8358	Intermediate Similarity	NPC22902
0.8358	Intermediate Similarity	NPC35550
0.8358	Intermediate Similarity	NPC266453
0.8358	Intermediate Similarity	NPC200935
0.8358	Intermediate Similarity	NPC230919
0.8347	Intermediate Similarity	NPC120280
0.8346	Intermediate Similarity	NPC256262
0.8321	Intermediate Similarity	NPC232275
0.8319	Intermediate Similarity	NPC13482
0.8309	Intermediate Similarity	NPC35216
0.8309	Intermediate Similarity	NPC71046
0.8309	Intermediate Similarity	NPC265075
0.8308	Intermediate Similarity	NPC212015
0.8306	Intermediate Similarity	NPC151197
0.8305	Intermediate Similarity	NPC174981
0.8296	Intermediate Similarity	NPC218131
0.8296	Intermediate Similarity	NPC79622
0.8296	Intermediate Similarity	NPC105847
0.8296	Intermediate Similarity	NPC184613
0.8296	Intermediate Similarity	NPC212942
0.8296	Intermediate Similarity	NPC243759
0.8296	Intermediate Similarity	NPC29868
0.8295	Intermediate Similarity	NPC127587
0.8295	Intermediate Similarity	NPC266555
0.8291	Intermediate Similarity	NPC248904
0.8286	Intermediate Similarity	NPC473876
0.8284	Intermediate Similarity	NPC234952
0.8281	Intermediate Similarity	NPC105925
0.8281	Intermediate Similarity	NPC251855
0.8281	Intermediate Similarity	NPC60885
0.8281	Intermediate Similarity	NPC208950
0.8281	Intermediate Similarity	NPC82483
0.8281	Intermediate Similarity	NPC221077
0.8281	Intermediate Similarity	NPC105031
0.8281	Intermediate Similarity	NPC233410
0.8281	Intermediate Similarity	NPC57490
0.8281	Intermediate Similarity	NPC117214
0.8281	Intermediate Similarity	NPC299584
0.8281	Intermediate Similarity	NPC265483
0.8281	Intermediate Similarity	NPC234400
0.8281	Intermediate Similarity	NPC203133
0.8281	Intermediate Similarity	NPC193544
0.8281	Intermediate Similarity	NPC475169
0.8281	Intermediate Similarity	NPC17943
0.8281	Intermediate Similarity	NPC116907
0.8281	Intermediate Similarity	NPC298757
0.8281	Intermediate Similarity	NPC472093
0.8276	Intermediate Similarity	NPC120719
0.8276	Intermediate Similarity	NPC119860
0.8276	Intermediate Similarity	NPC241891
0.8276	Intermediate Similarity	NPC30506
0.8276	Intermediate Similarity	NPC471511
0.8276	Intermediate Similarity	NPC102216
0.8271	Intermediate Similarity	NPC160697
0.8271	Intermediate Similarity	NPC469659
0.8271	Intermediate Similarity	NPC289258
0.8271	Intermediate Similarity	NPC7515
0.8271	Intermediate Similarity	NPC56764
0.8271	Intermediate Similarity	NPC206737
0.8271	Intermediate Similarity	NPC276026
0.8271	Intermediate Similarity	NPC188378
0.8271	Intermediate Similarity	NPC555
0.8268	Intermediate Similarity	NPC228922
0.8268	Intermediate Similarity	NPC84086
0.8268	Intermediate Similarity	NPC121115
0.8268	Intermediate Similarity	NPC197757
0.8264	Intermediate Similarity	NPC317869
0.8261	Intermediate Similarity	NPC50250
0.8258	Intermediate Similarity	NPC161958
0.8258	Intermediate Similarity	NPC14224
0.8258	Intermediate Similarity	NPC6451
0.8254	Intermediate Similarity	NPC476633
0.825	Intermediate Similarity	NPC257430
0.825	Intermediate Similarity	NPC95716
0.825	Intermediate Similarity	NPC179002
0.825	Intermediate Similarity	NPC151537
0.825	Intermediate Similarity	NPC187583
0.8248	Intermediate Similarity	NPC183709
0.8248	Intermediate Similarity	NPC175838
0.8244	Intermediate Similarity	NPC299221
0.8244	Intermediate Similarity	NPC51840
0.8244	Intermediate Similarity	NPC234488
0.8244	Intermediate Similarity	NPC311680
0.8235	Intermediate Similarity	NPC472090

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC53567 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	269
0.1-0.2	971
0.2-0.3	1275
0.3-0.4	2955
0.4-0.5	1982
0.5-0.6	1113
0.6-0.7	494
0.7-0.8	95
0.8-0.85	5
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8547	High Similarity	NPD3021	Approved
0.8547	High Similarity	NPD3022	Approved
0.8103	Intermediate Similarity	NPD846	Approved
0.8103	Intermediate Similarity	NPD940	Approved
0.8083	Intermediate Similarity	NPD4750	Phase 3
0.803	Intermediate Similarity	NPD3027	Phase 3
0.8017	Intermediate Similarity	NPD1242	Phase 1
0.7955	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7886	Intermediate Similarity	NPD7635	Approved
0.7879	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD3020	Approved
0.7761	Intermediate Similarity	NPD4625	Phase 3
0.7727	Intermediate Similarity	NPD3094	Phase 2
0.7721	Intermediate Similarity	NPD1613	Approved
0.7721	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7721	Intermediate Similarity	NPD943	Approved
0.7692	Intermediate Similarity	NPD3092	Approved
0.7672	Intermediate Similarity	NPD2860	Approved
0.7672	Intermediate Similarity	NPD1809	Phase 2
0.7672	Intermediate Similarity	NPD2859	Approved
0.7623	Intermediate Similarity	NPD2342	Discontinued
0.7586	Intermediate Similarity	NPD2933	Approved
0.7586	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD2934	Approved
0.7576	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7574	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7563	Intermediate Similarity	NPD289	Clinical (unspecified phase)
0.7537	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7519	Intermediate Similarity	NPD3091	Approved
0.7426	Intermediate Similarity	NPD4908	Phase 1
0.7405	Intermediate Similarity	NPD4059	Approved
0.7405	Intermediate Similarity	NPD3019	Approved
0.7405	Intermediate Similarity	NPD2932	Approved
0.7381	Intermediate Similarity	NPD6124	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7373	Intermediate Similarity	NPD844	Approved
0.7353	Intermediate Similarity	NPD3018	Phase 2
0.735	Intermediate Similarity	NPD845	Approved
0.7338	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD4060	Phase 1
0.7338	Intermediate Similarity	NPD3620	Phase 2
0.7319	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7311	Intermediate Similarity	NPD288	Approved
0.7293	Intermediate Similarity	NPD1610	Phase 2
0.7273	Intermediate Similarity	NPD4589	Approved
0.7273	Intermediate Similarity	NPD3095	Discontinued
0.7273	Intermediate Similarity	NPD2029	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD5283	Phase 1
0.7266	Intermediate Similarity	NPD7159	Clinical (unspecified phase)
0.7244	Intermediate Similarity	NPD228	Approved
0.7237	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD7325	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD7390	Discontinued
0.7206	Intermediate Similarity	NPD4339	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD4093	Discontinued
0.7194	Intermediate Similarity	NPD2028	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD2982	Phase 2
0.7185	Intermediate Similarity	NPD4749	Approved
0.7185	Intermediate Similarity	NPD2983	Phase 2
0.7165	Intermediate Similarity	NPD9280	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD4160	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD2286	Discontinued
0.7143	Intermediate Similarity	NPD1751	Approved
0.7132	Intermediate Similarity	NPD5311	Approved
0.7132	Intermediate Similarity	NPD6696	Suspended
0.7132	Intermediate Similarity	NPD5310	Approved
0.7123	Intermediate Similarity	NPD8166	Discontinued
0.7121	Intermediate Similarity	NPD1548	Phase 1
0.7113	Intermediate Similarity	NPD4097	Suspended
0.7111	Intermediate Similarity	NPD2981	Phase 2
0.7101	Intermediate Similarity	NPD5736	Approved
0.7095	Intermediate Similarity	NPD2421	Approved
0.7095	Intermediate Similarity	NPD2420	Approved
0.7083	Intermediate Similarity	NPD5405	Approved
0.7083	Intermediate Similarity	NPD5404	Approved
0.7083	Intermediate Similarity	NPD5408	Approved
0.7083	Intermediate Similarity	NPD5406	Approved
0.7083	Intermediate Similarity	NPD6099	Approved
0.7083	Intermediate Similarity	NPD6100	Approved
0.708	Intermediate Similarity	NPD3053	Approved
0.708	Intermediate Similarity	NPD3055	Approved
0.7077	Intermediate Similarity	NPD497	Approved
0.7069	Intermediate Similarity	NPD9094	Approved
0.7059	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7054	Intermediate Similarity	NPD9377	Approved
0.7054	Intermediate Similarity	NPD9379	Approved
0.7051	Intermediate Similarity	NPD6234	Discontinued
0.7037	Intermediate Similarity	NPD1201	Approved
0.7034	Intermediate Similarity	NPD7266	Discontinued
0.7025	Intermediate Similarity	NPD6232	Discontinued
0.7021	Intermediate Similarity	NPD6405	Approved
0.7021	Intermediate Similarity	NPD6407	Approved
0.7015	Intermediate Similarity	NPD4626	Approved
0.7007	Intermediate Similarity	NPD8651	Approved
0.7	Intermediate Similarity	NPD495	Approved
0.7	Intermediate Similarity	NPD7473	Discontinued
0.7	Intermediate Similarity	NPD4869	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD496	Approved
0.7	Intermediate Similarity	NPD498	Approved
0.6993	Remote Similarity	NPD5314	Approved
0.6992	Remote Similarity	NPD5304	Approved
0.6992	Remote Similarity	NPD7330	Discontinued
0.6992	Remote Similarity	NPD5303	Approved
0.6985	Remote Similarity	NPD9269	Phase 2
0.698	Remote Similarity	NPD1511	Approved
0.6972	Remote Similarity	NPD3062	Approved
0.6972	Remote Similarity	NPD3059	Approved
0.6972	Remote Similarity	NPD3061	Approved
0.6966	Remote Similarity	NPD1632	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD3023	Approved
0.6963	Remote Similarity	NPD3026	Approved
0.6957	Remote Similarity	NPD1470	Approved
0.6953	Remote Similarity	NPD1792	Phase 2
0.6948	Remote Similarity	NPD37	Approved
0.6948	Remote Similarity	NPD1934	Approved
0.694	Remote Similarity	NPD3025	Approved
0.694	Remote Similarity	NPD3024	Approved
0.6923	Remote Similarity	NPD5735	Approved
0.6913	Remote Similarity	NPD7124	Phase 2
0.6906	Remote Similarity	NPD2194	Approved
0.6906	Remote Similarity	NPD2195	Approved
0.6903	Remote Similarity	NPD2801	Approved
0.6901	Remote Similarity	NPD6663	Approved
0.6894	Remote Similarity	NPD6671	Approved
0.6894	Remote Similarity	NPD7157	Approved
0.6892	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6889	Remote Similarity	NPD9381	Approved
0.6889	Remote Similarity	NPD9384	Approved
0.6887	Remote Similarity	NPD1512	Approved
0.6879	Remote Similarity	NPD7095	Approved
0.6879	Remote Similarity	NPD5156	Approved
0.6879	Remote Similarity	NPD5155	Approved
0.6875	Remote Similarity	NPD2568	Approved
0.687	Remote Similarity	NPD2234	Approved
0.687	Remote Similarity	NPD2228	Approved
0.687	Remote Similarity	NPD2229	Approved
0.6866	Remote Similarity	NPD2226	Clinical (unspecified phase)
0.6857	Remote Similarity	NPD2861	Phase 2
0.6857	Remote Similarity	NPD3637	Approved
0.6857	Remote Similarity	NPD3636	Approved
0.6857	Remote Similarity	NPD3635	Approved
0.6855	Remote Similarity	NPD3028	Approved
0.6853	Remote Similarity	NPD1555	Discontinued
0.6852	Remote Similarity	NPD7228	Approved
0.6831	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6824	Remote Similarity	NPD6674	Discontinued
0.6815	Remote Similarity	NPD4965	Approved
0.6815	Remote Similarity	NPD4966	Approved
0.6815	Remote Similarity	NPD3882	Suspended
0.6815	Remote Similarity	NPD4967	Phase 2
0.6812	Remote Similarity	NPD9622	Approved
0.681	Remote Similarity	NPD111	Approved
0.6809	Remote Similarity	NPD2606	Approved
0.6809	Remote Similarity	NPD2605	Approved
0.6806	Remote Similarity	NPD230	Phase 1
0.6803	Remote Similarity	NPD3540	Phase 1
0.68	Remote Similarity	NPD3845	Phase 1
0.6795	Remote Similarity	NPD7819	Suspended
0.6788	Remote Similarity	NPD5351	Clinical (unspecified phase)
0.6788	Remote Similarity	NPD422	Phase 1
0.6788	Remote Similarity	NPD5350	Clinical (unspecified phase)
0.6786	Remote Similarity	NPD4624	Approved
0.6779	Remote Similarity	NPD3750	Approved
0.6755	Remote Similarity	NPD7040	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD7041	Phase 2
0.6753	Remote Similarity	NPD4005	Discontinued
0.675	Remote Similarity	NPD7199	Phase 2
0.6741	Remote Similarity	NPD7741	Discontinued
0.6739	Remote Similarity	NPD2337	Clinical (unspecified phase)
0.6736	Remote Similarity	NPD1558	Phase 1
0.6735	Remote Similarity	NPD3539	Phase 1
0.6735	Remote Similarity	NPD2935	Discontinued
0.6719	Remote Similarity	NPD1444	Approved
0.6719	Remote Similarity	NPD1445	Approved
0.6714	Remote Similarity	NPD1164	Approved
0.6712	Remote Similarity	NPD6111	Discontinued
0.6711	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6711	Remote Similarity	NPD3645	Discontinued
0.6709	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD5844	Phase 1
0.6692	Remote Similarity	NPD1476	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD5327	Phase 3
0.6691	Remote Similarity	NPD9268	Approved
0.6691	Remote Similarity	NPD1651	Approved
0.6691	Remote Similarity	NPD1669	Approved
0.6691	Remote Similarity	NPD4196	Clinical (unspecified phase)
0.6691	Remote Similarity	NPD5691	Approved
0.6691	Remote Similarity	NPD4235	Clinical (unspecified phase)
0.669	Remote Similarity	NPD3594	Approved
0.669	Remote Similarity	NPD3595	Approved
0.6689	Remote Similarity	NPD2422	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD4725	Approved
0.6689	Remote Similarity	NPD4721	Approved
0.6689	Remote Similarity	NPD5763	Approved
0.6689	Remote Similarity	NPD4726	Approved
0.6689	Remote Similarity	NPD5762	Approved
0.6688	Remote Similarity	NPD1465	Phase 2

Structure

NPC53567 OpenBabel07101718292D 34 35 0 0 0 0 0 0 0 0999 V2000 6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 0.8660 -3.5000 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 5.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -2.0000 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 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 1.5000 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 0.0000 -2.0000 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 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 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 0 0 0 0 0 0 0 0 0 0 6.9282 1.0000 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 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 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 1.7321 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 6.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.0000 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 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 6 30 1 0 0 0 0 7 30 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 20 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 24 29 1 0 0 0 0 25 27 2 0 0 0 0 25 30 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21637679
ChEMBL	CHEMBL466200
ZINC

Physicochemical Properties

Molecular Weight:	464.29
ALogP:	3.3721
MLogP:	4.32
XLogP:	7.784
# Rotatable Bonds:	20
Polar Surface Area:	80.92
# H-Bond Aceptor:	0
# H-Bond Donor:	4
# Rings:	2
# Heavy Atoms:	34

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