NPASS Natural Product

Natural Product: NPC475835

Natural Product ID:	NPC475835
Common Name:	Decaturin C
IUPAC Name:
Synonyms:	Decaturin C
Molecular Formula:	C30H35NO5
Standard InCHIKey:	VVYVYDOUCPUFSI-XHVWOXFNSA-N
Standard InCHI:	InChI=1S/C30H35NO5/c1-18-7-8-24-27(4,10-9-23-26(2,3)30(33)12-11-28(23,24)17-34-30)29(18)15-20-22(36-29)14-21(35-25(20)32)19-6-5-13-31-16-19/h5-7,13-14,16,23-24,33H,8-12,15,17H2,1-4H3/t23-,24-,27+,28+,29-,30-/m0/s1
Canonical SMILES:	CC1=CC[C@H]2[C@@]([C@]31Oc1c(C3)c(=O)oc(c1)c1cccnc1)(C)CC[C@@H]1[C@@]32CC[C@](OC3)(C1(C)C)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
NPO302	Penicillium thiersii	Species	Aspergillaceae	Eukaryota				PMID[15787428]

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Organism	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT1192	Organism	Spodoptera frugiperda	Spodoptera frugiperda	Activity	=	28	%	24491225

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 NPC475835 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	228
0.1-0.2	1027
0.2-0.3	2371
0.3-0.4	6685
0.4-0.5	14070
0.5-0.6	5246
0.6-0.7	1054
0.7-0.8	116
0.8-0.85	73
0.85-0.9	15
0.9-0.95	3
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9531	High Similarity	NPC162812
0.9278	High Similarity	NPC30570
0.9223	High Similarity	NPC292517
0.9135	High Similarity	NPC103230
0.8614	High Similarity	NPC62367
0.8607	High Similarity	NPC477907
0.8607	High Similarity	NPC42678
0.8607	High Similarity	NPC477909
0.8586	High Similarity	NPC472550
0.8586	High Similarity	NPC304179
0.8586	High Similarity	NPC48042
0.8578	High Similarity	NPC477912
0.8571	High Similarity	NPC216428
0.8557	High Similarity	NPC264674
0.855	High Similarity	NPC472553
0.8544	High Similarity	NPC477902
0.8529	High Similarity	NPC477901
0.8515	High Similarity	NPC477910
0.8502	High Similarity	NPC148860
0.848	Intermediate Similarity	NPC472555
0.8473	Intermediate Similarity	NPC206343
0.8473	Intermediate Similarity	NPC477908
0.8462	Intermediate Similarity	NPC124029
0.8447	Intermediate Similarity	NPC235364
0.8447	Intermediate Similarity	NPC477911
0.8442	Intermediate Similarity	NPC63041
0.8429	Intermediate Similarity	NPC477906
0.8398	Intermediate Similarity	NPC477903
0.839	Intermediate Similarity	NPC84815
0.839	Intermediate Similarity	NPC301368
0.8382	Intermediate Similarity	NPC471016
0.8374	Intermediate Similarity	NPC319128
0.8374	Intermediate Similarity	NPC228331
0.8373	Intermediate Similarity	NPC211920
0.8365	Intermediate Similarity	NPC26881
0.8365	Intermediate Similarity	NPC477900
0.8365	Intermediate Similarity	NPC477899
0.8357	Intermediate Similarity	NPC127720
0.8357	Intermediate Similarity	NPC127026
0.8333	Intermediate Similarity	NPC470306
0.8317	Intermediate Similarity	NPC471980
0.8293	Intermediate Similarity	NPC471014
0.8293	Intermediate Similarity	NPC6981
0.8293	Intermediate Similarity	NPC475408
0.8291	Intermediate Similarity	NPC289086
0.8284	Intermediate Similarity	NPC4421
0.8252	Intermediate Similarity	NPC473115
0.8252	Intermediate Similarity	NPC294579
0.8252	Intermediate Similarity	NPC158020
0.8252	Intermediate Similarity	NPC212768
0.8252	Intermediate Similarity	NPC75600
0.8252	Intermediate Similarity	NPC473089
0.8252	Intermediate Similarity	NPC6576
0.8252	Intermediate Similarity	NPC144779
0.8208	Intermediate Similarity	NPC91125
0.819	Intermediate Similarity	NPC328154
0.8143	Intermediate Similarity	NPC57797
0.8143	Intermediate Similarity	NPC250807
0.8143	Intermediate Similarity	NPC76565
0.8113	Intermediate Similarity	NPC477787
0.8113	Intermediate Similarity	NPC475601
0.8113	Intermediate Similarity	NPC285411
0.8113	Intermediate Similarity	NPC87152
0.8113	Intermediate Similarity	NPC228377
0.8113	Intermediate Similarity	NPC122968
0.8113	Intermediate Similarity	NPC475631
0.8113	Intermediate Similarity	NPC328186
0.8113	Intermediate Similarity	NPC475600
0.8113	Intermediate Similarity	NPC476110
0.8113	Intermediate Similarity	NPC14116
0.8104	Intermediate Similarity	NPC475498
0.8104	Intermediate Similarity	NPC473850
0.8104	Intermediate Similarity	NPC475137
0.809	Intermediate Similarity	NPC470279
0.8084	Intermediate Similarity	NPC475303
0.8084	Intermediate Similarity	NPC96801
0.8084	Intermediate Similarity	NPC150698
0.8084	Intermediate Similarity	NPC316841
0.8084	Intermediate Similarity	NPC475596
0.8075	Intermediate Similarity	NPC470486
0.8075	Intermediate Similarity	NPC134384
0.8075	Intermediate Similarity	NPC471977
0.8075	Intermediate Similarity	NPC471190
0.8075	Intermediate Similarity	NPC475644
0.8075	Intermediate Similarity	NPC311196
0.8056	Intermediate Similarity	NPC327769
0.8047	Intermediate Similarity	NPC30456
0.8039	Intermediate Similarity	NPC472752
0.8028	Intermediate Similarity	NPC146824
0.8009	Intermediate Similarity	NPC477788
0.8	Intermediate Similarity	NPC292416
0.8	Intermediate Similarity	NPC473689
0.7991	Intermediate Similarity	NPC475362
0.7981	Intermediate Similarity	NPC473506
0.7972	Intermediate Similarity	NPC475406
0.7972	Intermediate Similarity	NPC170751
0.7963	Intermediate Similarity	NPC244839
0.7963	Intermediate Similarity	NPC319880
0.7963	Intermediate Similarity	NPC320324
0.7963	Intermediate Similarity	NPC469748
0.7936	Intermediate Similarity	NPC38959
0.7936	Intermediate Similarity	NPC327904
0.7926	Intermediate Similarity	NPC237702
0.7923	Intermediate Similarity	NPC476467
0.789	Intermediate Similarity	NPC475426
0.789	Intermediate Similarity	NPC35208
0.7844	Intermediate Similarity	NPC238278
0.7837	Intermediate Similarity	NPC280473
0.7837	Intermediate Similarity	NPC323551
0.7828	Intermediate Similarity	NPC253482
0.7803	Intermediate Similarity	NPC475648
0.7799	Intermediate Similarity	NPC41724
0.7799	Intermediate Similarity	NPC51008
0.7768	Intermediate Similarity	NPC476090
0.7767	Intermediate Similarity	NPC233727
0.7729	Intermediate Similarity	NPC470190
0.7717	Intermediate Similarity	NPC213143
0.7642	Intermediate Similarity	NPC62844
0.7642	Intermediate Similarity	NPC193361
0.7636	Intermediate Similarity	NPC471004
0.7633	Intermediate Similarity	NPC309498
0.763	Intermediate Similarity	NPC165837
0.7619	Intermediate Similarity	NPC470189
0.7619	Intermediate Similarity	NPC40919
0.7611	Intermediate Similarity	NPC180668
0.7611	Intermediate Similarity	NPC148896
0.7611	Intermediate Similarity	NPC471013
0.759	Intermediate Similarity	NPC471997
0.7577	Intermediate Similarity	NPC475533
0.757	Intermediate Similarity	NPC187494
0.757	Intermediate Similarity	NPC319556
0.7549	Intermediate Similarity	NPC324245
0.7549	Intermediate Similarity	NPC320748
0.7544	Intermediate Similarity	NPC324619
0.7544	Intermediate Similarity	NPC475315
0.7538	Intermediate Similarity	NPC325775
0.7538	Intermediate Similarity	NPC328798
0.7525	Intermediate Similarity	NPC289786
0.7524	Intermediate Similarity	NPC328559
0.7524	Intermediate Similarity	NPC32451
0.7512	Intermediate Similarity	NPC160127
0.7512	Intermediate Similarity	NPC50997
0.75	Intermediate Similarity	NPC111732
0.7478	Intermediate Similarity	NPC10904
0.7477	Intermediate Similarity	NPC207531
0.7476	Intermediate Similarity	NPC79223
0.7457	Intermediate Similarity	NPC471015
0.7435	Intermediate Similarity	NPC477975
0.7425	Intermediate Similarity	NPC475301
0.7425	Intermediate Similarity	NPC326930
0.7425	Intermediate Similarity	NPC53255
0.7425	Intermediate Similarity	NPC85879
0.7424	Intermediate Similarity	NPC327373
0.7415	Intermediate Similarity	NPC329024
0.7393	Intermediate Similarity	NPC13603
0.7384	Intermediate Similarity	NPC328928
0.7373	Intermediate Similarity	NPC473833
0.7346	Intermediate Similarity	NPC156044
0.7343	Intermediate Similarity	NPC123395
0.734	Intermediate Similarity	NPC127647
0.7337	Intermediate Similarity	NPC322043
0.7337	Intermediate Similarity	NPC325093
0.733	Intermediate Similarity	NPC472762
0.7328	Intermediate Similarity	NPC476516
0.7327	Intermediate Similarity	NPC44354
0.7317	Intermediate Similarity	NPC146724
0.7311	Intermediate Similarity	NPC471978
0.7302	Intermediate Similarity	NPC317752
0.7295	Intermediate Similarity	NPC59033
0.7295	Intermediate Similarity	NPC317672
0.7283	Intermediate Similarity	NPC471323
0.7282	Intermediate Similarity	NPC109922
0.7282	Intermediate Similarity	NPC473053
0.7264	Intermediate Similarity	NPC318020
0.7256	Intermediate Similarity	NPC318299
0.7251	Intermediate Similarity	NPC12944
0.7251	Intermediate Similarity	NPC25442
0.7241	Intermediate Similarity	NPC182814
0.7227	Intermediate Similarity	NPC253314
0.722	Intermediate Similarity	NPC471979
0.7207	Intermediate Similarity	NPC235885
0.7157	Intermediate Similarity	NPC477976
0.715	Intermediate Similarity	NPC135950
0.7149	Intermediate Similarity	NPC2395
0.7136	Intermediate Similarity	NPC238457
0.7129	Intermediate Similarity	NPC207851
0.7128	Intermediate Similarity	NPC98187
0.7103	Intermediate Similarity	NPC193238
0.7095	Intermediate Similarity	NPC103361
0.7087	Intermediate Similarity	NPC472097
0.7083	Intermediate Similarity	NPC470020
0.7082	Intermediate Similarity	NPC476517
0.707	Intermediate Similarity	NPC470280
0.7067	Intermediate Similarity	NPC57690
0.7056	Intermediate Similarity	NPC317373
0.7054	Intermediate Similarity	NPC473449
0.7043	Intermediate Similarity	NPC189903
0.7043	Intermediate Similarity	NPC182907
0.7028	Intermediate Similarity	NPC155792
0.7026	Intermediate Similarity	NPC210296

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC475835 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	175
0.1-0.2	517
0.2-0.3	717
0.3-0.4	1278
0.4-0.5	3114
0.5-0.6	2653
0.6-0.7	676
0.7-0.8	31
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
0.766	Intermediate Similarity	NPD6635	Approved
0.7655	Intermediate Similarity	NPD8468	Phase 2
0.7577	Intermediate Similarity	NPD5751	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD5088	Discontinued
0.75	Intermediate Similarity	NPD7234	Approved
0.75	Intermediate Similarity	NPD7069	Discontinued
0.75	Intermediate Similarity	NPD7233	Approved
0.7449	Intermediate Similarity	NPD8304	Clinical (unspecified phase)
0.7358	Intermediate Similarity	NPD6529	Discontinued
0.7333	Intermediate Similarity	NPD7396	Approved
0.7317	Intermediate Similarity	NPD5975	Clinical (unspecified phase)
0.7302	Intermediate Similarity	NPD6026	Approved
0.7291	Intermediate Similarity	NPD8063	Discontinued
0.7281	Intermediate Similarity	NPD8327	Clinical (unspecified phase)
0.7281	Intermediate Similarity	NPD8326	Phase 3
0.7281	Intermediate Similarity	NPD8325	Phase 3
0.7268	Intermediate Similarity	NPD6361	Phase 2
0.7217	Intermediate Similarity	NPD7010	Phase 3
0.7209	Intermediate Similarity	NPD7927	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD8052	Clinical (unspecified phase)
0.7156	Intermediate Similarity	NPD6477	Clinical (unspecified phase)
0.715	Intermediate Similarity	NPD4427	Phase 2
0.7143	Intermediate Similarity	NPD4396	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD7061	Clinical (unspecified phase)
0.7094	Intermediate Similarity	NPD4889	Approved
0.703	Intermediate Similarity	NPD7414	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD7562	Approved
0.7014	Intermediate Similarity	NPD6661	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD2896	Discontinued
0.701	Intermediate Similarity	NPD2511	Approved
0.7	Intermediate Similarity	NPD5891	Approved
0.6996	Remote Similarity	NPD6298	Discontinued
0.6996	Remote Similarity	NPD5147	Discontinued
0.6995	Remote Similarity	NPD820	Phase 3
0.6995	Remote Similarity	NPD5721	Clinical (unspecified phase)
0.6983	Remote Similarity	NPD7886	Phase 2
0.6983	Remote Similarity	NPD7885	Phase 2
0.6976	Remote Similarity	NPD4375	Approved
0.6971	Remote Similarity	NPD4376	Phase 3
0.6965	Remote Similarity	NPD6641	Approved
0.6965	Remote Similarity	NPD6642	Approved
0.6957	Remote Similarity	NPD6281	Approved
0.6938	Remote Similarity	NPD4529	Approved
0.6938	Remote Similarity	NPD4551	Phase 2
0.6938	Remote Similarity	NPD4526	Approved
0.6938	Remote Similarity	NPD4528	Approved
0.6936	Remote Similarity	NPD7967	Discontinued
0.6935	Remote Similarity	NPD485	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD3389	Approved
0.6923	Remote Similarity	NPD3394	Approved
0.6923	Remote Similarity	NPD3393	Approved
0.6919	Remote Similarity	NPD6872	Clinical (unspecified phase)
0.6908	Remote Similarity	NPD4021	Phase 2
0.6907	Remote Similarity	NPD2581	Approved
0.6907	Remote Similarity	NPD2582	Approved
0.6898	Remote Similarity	NPD7958	Clinical (unspecified phase)
0.6898	Remote Similarity	NPD7957	Phase 1
0.6895	Remote Similarity	NPD4417	Approved
0.6892	Remote Similarity	NPD4989	Phase 2
0.6891	Remote Similarity	NPD6525	Clinical (unspecified phase)
0.689	Remote Similarity	NPD6569	Phase 2
0.6881	Remote Similarity	NPD1032	Phase 2
0.6875	Remote Similarity	NPD8479	Phase 2
0.6863	Remote Similarity	NPD3386	Phase 2
0.6861	Remote Similarity	NPD6568	Discontinued
0.686	Remote Similarity	NPD6257	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD4037	Approved
0.6852	Remote Similarity	NPD4122	Approved
0.6852	Remote Similarity	NPD4033	Approved
0.6852	Remote Similarity	NPD4038	Approved
0.6852	Remote Similarity	NPD32	Approved
0.6852	Remote Similarity	NPD4036	Approved
0.6852	Remote Similarity	NPD4034	Approved
0.6852	Remote Similarity	NPD4035	Approved
0.6852	Remote Similarity	NPD3946	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD4039	Approved
0.6852	Remote Similarity	NPD31	Approved
0.6851	Remote Similarity	NPD1483	Discontinued
0.6849	Remote Similarity	NPD4900	Clinical (unspecified phase)
0.6847	Remote Similarity	NPD1620	Clinical (unspecified phase)
0.6835	Remote Similarity	NPD7947	Clinical (unspecified phase)
0.6833	Remote Similarity	NPD3795	Approved
0.6833	Remote Similarity	NPD3794	Approved
0.6824	Remote Similarity	NPD8409	Suspended
0.682	Remote Similarity	NPD4862	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7470	Discontinued
0.6816	Remote Similarity	NPD3326	Clinical (unspecified phase)
0.681	Remote Similarity	NPD6665	Discontinued
0.6808	Remote Similarity	NPD53	Approved
0.6808	Remote Similarity	NPD7778	Approved
0.6808	Remote Similarity	NPD7777	Approved
0.6806	Remote Similarity	NPD9271	Approved
0.6802	Remote Similarity	NPD8112	Clinical (unspecified phase)
0.6802	Remote Similarity	NPD7707	Approved
0.6794	Remote Similarity	NPD4081	Clinical (unspecified phase)
0.6789	Remote Similarity	NPD5429	Discontinued
0.6787	Remote Similarity	NPD3816	Phase 1
0.6787	Remote Similarity	NPD3815	Phase 1
0.6786	Remote Similarity	NPD7395	Discontinued
0.6782	Remote Similarity	NPD5322	Clinical (unspecified phase)
0.678	Remote Similarity	NPD8412	Phase 1
0.6779	Remote Similarity	NPD8020	Approved
0.6779	Remote Similarity	NPD8021	Approved
0.6773	Remote Similarity	NPD6262	Clinical (unspecified phase)
0.677	Remote Similarity	NPD4301	Approved
0.6766	Remote Similarity	NPD1078	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD7187	Phase 2
0.6758	Remote Similarity	NPD2509	Approved
0.6758	Remote Similarity	NPD2510	Approved
0.6757	Remote Similarity	NPD7571	Clinical (unspecified phase)
0.675	Remote Similarity	NPD8101	Phase 3
0.6749	Remote Similarity	NPD5100	Phase 3
0.6745	Remote Similarity	NPD3395	Approved
0.6745	Remote Similarity	NPD3396	Approved
0.6744	Remote Similarity	NPD4501	Approved
0.6744	Remote Similarity	NPD6479	Discontinued
0.6744	Remote Similarity	NPD4500	Approved
0.6743	Remote Similarity	NPD4901	Clinical (unspecified phase)
0.6738	Remote Similarity	NPD203	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD751	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD3813	Approved
0.6736	Remote Similarity	NPD6276	Discontinued
0.673	Remote Similarity	NPD3922	Approved
0.673	Remote Similarity	NPD3923	Approved
0.673	Remote Similarity	NPD3921	Approved
0.673	Remote Similarity	NPD3924	Approved
0.6728	Remote Similarity	NPD2121	Clinical (unspecified phase)
0.6727	Remote Similarity	NPD4437	Phase 3
0.6725	Remote Similarity	NPD8289	Discontinued
0.6724	Remote Similarity	NPD5015	Clinical (unspecified phase)
0.672	Remote Similarity	NPD4805	Approved
0.6718	Remote Similarity	NPD2809	Approved
0.6714	Remote Similarity	NPD5512	Phase 3
0.6714	Remote Similarity	NPD3321	Discontinued
0.6711	Remote Similarity	NPD3354	Phase 2
0.6701	Remote Similarity	NPD5255	Approved
0.67	Remote Similarity	NPD4174	Clinical (unspecified phase)
0.6699	Remote Similarity	NPD6791	Phase 2
0.6697	Remote Similarity	NPD3947	Discontinued
0.6683	Remote Similarity	NPD6241	Phase 1
0.6682	Remote Similarity	NPD2336	Approved
0.6682	Remote Similarity	NPD7561	Approved
0.6682	Remote Similarity	NPD5003	Discontinued
0.668	Remote Similarity	NPD5482	Discontinued
0.6652	Remote Similarity	NPD7426	Phase 1
0.6651	Remote Similarity	NPD5513	Phase 2
0.6649	Remote Similarity	NPD1627	Clinical (unspecified phase)
0.6637	Remote Similarity	NPD6657	Clinical (unspecified phase)
0.6626	Remote Similarity	NPD7956	Approved
0.6626	Remote Similarity	NPD7955	Approved
0.6625	Remote Similarity	NPD8100	Phase 3
0.6621	Remote Similarity	NPD5901	Discontinued
0.6621	Remote Similarity	NPD6323	Clinical (unspecified phase)
0.6621	Remote Similarity	NPD2831	Approved
0.6617	Remote Similarity	NPD6446	Discontinued
0.6615	Remote Similarity	NPD9074	Approved
0.6615	Remote Similarity	NPD9075	Approved
0.6614	Remote Similarity	NPD4804	Approved
0.6609	Remote Similarity	NPD7586	Clinical (unspecified phase)
0.6609	Remote Similarity	NPD8372	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD7467	Discontinued
0.6605	Remote Similarity	NPD7021	Clinical (unspecified phase)
0.6603	Remote Similarity	NPD7424	Clinical (unspecified phase)
0.6601	Remote Similarity	NPD6739	Clinical (unspecified phase)
0.6597	Remote Similarity	NPD7417	Discontinued
0.6592	Remote Similarity	NPD5475	Discontinued
0.659	Remote Similarity	NPD5497	Clinical (unspecified phase)
0.659	Remote Similarity	NPD4601	Approved
0.659	Remote Similarity	NPD4600	Approved
0.6588	Remote Similarity	NPD4334	Discontinued
0.6587	Remote Similarity	NPD5728	Clinical (unspecified phase)
0.6583	Remote Similarity	NPD5483	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD7796	Approved
0.6581	Remote Similarity	NPD7797	Approved
0.658	Remote Similarity	NPD5640	Discontinued
0.6578	Remote Similarity	NPD4897	Phase 2
0.6574	Remote Similarity	NPD4987	Clinical (unspecified phase)
0.6567	Remote Similarity	NPD5801	Clinical (unspecified phase)
0.656	Remote Similarity	NPD3911	Approved
0.6558	Remote Similarity	NPD3477	Phase 2
0.6558	Remote Similarity	NPD3478	Clinical (unspecified phase)
0.6558	Remote Similarity	NPD2307	Discontinued
0.6557	Remote Similarity	NPD2564	Approved
0.6557	Remote Similarity	NPD2565	Phase 2
0.6555	Remote Similarity	NPD6178	Phase 3
0.6553	Remote Similarity	NPD6494	Phase 2
0.655	Remote Similarity	NPD5507	Approved
0.655	Remote Similarity	NPD4923	Phase 1
0.655	Remote Similarity	NPD5506	Approved
0.6546	Remote Similarity	NPD4702	Approved
0.6546	Remote Similarity	NPD4703	Approved
0.6545	Remote Similarity	NPD6987	Phase 1
0.6544	Remote Similarity	NPD6999	Discontinued
0.6544	Remote Similarity	NPD7000	Clinical (unspecified phase)
0.654	Remote Similarity	NPD1033	Clinical (unspecified phase)
0.654	Remote Similarity	NPD1034	Phase 3
0.6535	Remote Similarity	NPD7168	Phase 3
0.6535	Remote Similarity	NPD7404	Approved
0.6532	Remote Similarity	NPD7191	Phase 2
0.6532	Remote Similarity	NPD7708	Approved

Structure

NPC475835 OpenBabel07101718222D 36 42 0 0 1 0 0 0 0 0999 V2000 -5.1554 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3553 -2.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 -2.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2961 -0.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8350 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8428 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 1.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 -0.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 0.4961 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 -10.3311 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8585 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 -0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8428 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 0.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2961 1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3468 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3546 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 0.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7185 -0.9921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5777 0.4961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8664 -1.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 -1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7185 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2961 0.4961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.9921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8350 -1.5561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -2.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4961 -1.8514 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 -6.8585 -1.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2025 0.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 18 2 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 13 31 2 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 28 1 0 0 0 0 17 34 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 6 0 0 0 24 27 1 6 0 0 0 24 28 1 0 0 0 0 25 32 2 0 0 0 0 25 35 1 0 0 0 0 26 30 1 0 0 0 0 27 29 1 1 0 0 0 28 11 1 1 0 0 0 29 15 1 6 0 0 0 29 36 1 0 0 0 0 30 12 1 1 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	21593948
ChEMBL	CHEMBL517063
ZINC

Physicochemical Properties

Molecular Weight:	489.25
ALogP:	0.6785
MLogP:	4.1
XLogP:	4.439
# Rotatable Bonds:	6
Polar Surface Area:	77.88
# H-Bond Aceptor:	6
# H-Bond Donor:	1
# Rings:	5
# Heavy Atoms:	36

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