NPASS Natural Product

Natural Product: NPC183540

Natural Product ID:	NPC183540
Common Name:	n.a.
IUPAC Name:
Synonyms:
Molecular Formula:	C29H34O7
Standard InCHIKey:	IZHBNHCRPMQEPI-ZEUFARPOSA-N
Standard InCHI:	InChI=1S/C29H34O7/c1-16-11-22-27(33,24(16)31)14-19(15-35-25(32)20-9-7-6-8-10-20)12-21-23-26(4,5)28(23,36-18(3)30)13-17(2)29(21,22)34/h6-12,17,21-23,33-34H,13-15H2,1-5H3/t17-,21+,22-,23-,27-,28+,29-/m1/s1
Canonical SMILES:	CC(=O)O[C@@]12C[C@@H](C)[C@]3([C@H]([C@@H]1C2(C)C)C=C(COC(=O)c1ccccc1)C[C@]1([C@H]3C=C(C1=O)C)O)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
NPO422	Euphorbia cornigera	Species	Euphorbiaceae	Eukaryota				PMID[17512094]

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
NPT91	Cell Line	KB	Homo sapiens	IC50	=	8.2	ug/ml	10.1016/j.cropro.2006.02.001

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 NPC183540 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	213
0.1-0.2	905
0.2-0.3	1663
0.3-0.4	3154
0.4-0.5	6269
0.5-0.6	9000
0.6-0.7	8307
0.7-0.8	1092
0.8-0.85	266
0.85-0.9	8
0.9-0.95	12
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9366	High Similarity	NPC283875
0.9366	High Similarity	NPC469647
0.9366	High Similarity	NPC469648
0.9366	High Similarity	NPC138641
0.9366	High Similarity	NPC22571
0.9231	High Similarity	NPC145649
0.9231	High Similarity	NPC233581
0.9172	High Similarity	NPC11410
0.9161	High Similarity	NPC472398
0.9091	High Similarity	NPC125033
0.9085	High Similarity	NPC132652
0.9048	High Similarity	NPC159692
0.8865	High Similarity	NPC140021
0.8716	High Similarity	NPC251139
0.8552	High Similarity	NPC127857
0.8542	High Similarity	NPC95449
0.8514	High Similarity	NPC471103
0.8514	High Similarity	NPC51602
0.85	High Similarity	NPC48929
0.85	High Similarity	NPC329913
0.8493	Intermediate Similarity	NPC475552
0.8489	Intermediate Similarity	NPC238370
0.8478	Intermediate Similarity	NPC147561
0.8462	Intermediate Similarity	NPC97667
0.8462	Intermediate Similarity	NPC100913
0.8462	Intermediate Similarity	NPC275592
0.8462	Intermediate Similarity	NPC90614
0.8462	Intermediate Similarity	NPC171207
0.8425	Intermediate Similarity	NPC471100
0.8425	Intermediate Similarity	NPC134131
0.8425	Intermediate Similarity	NPC471107
0.8425	Intermediate Similarity	NPC25043
0.8414	Intermediate Similarity	NPC131966
0.8414	Intermediate Similarity	NPC477894
0.8414	Intermediate Similarity	NPC191387
0.8411	Intermediate Similarity	NPC70344
0.8403	Intermediate Similarity	NPC118080
0.8403	Intermediate Similarity	NPC16912
0.8403	Intermediate Similarity	NPC27377
0.8403	Intermediate Similarity	NPC41481
0.8403	Intermediate Similarity	NPC291599
0.8403	Intermediate Similarity	NPC97947
0.8403	Intermediate Similarity	NPC472576
0.8403	Intermediate Similarity	NPC87448
0.8392	Intermediate Similarity	NPC276652
0.8392	Intermediate Similarity	NPC9905
0.838	Intermediate Similarity	NPC472551
0.838	Intermediate Similarity	NPC472545
0.8378	Intermediate Similarity	NPC60509
0.8378	Intermediate Similarity	NPC473215
0.8378	Intermediate Similarity	NPC81698
0.8378	Intermediate Similarity	NPC250046
0.8378	Intermediate Similarity	NPC473403
0.8377	Intermediate Similarity	NPC477190
0.8377	Intermediate Similarity	NPC43304
0.8377	Intermediate Similarity	NPC477188
0.8369	Intermediate Similarity	NPC477359
0.8369	Intermediate Similarity	NPC477368
0.8369	Intermediate Similarity	NPC126516
0.8369	Intermediate Similarity	NPC474608
0.8367	Intermediate Similarity	NPC478263
0.8367	Intermediate Similarity	NPC473602
0.8356	Intermediate Similarity	NPC34943
0.8345	Intermediate Similarity	NPC472546
0.8345	Intermediate Similarity	NPC182869
0.8345	Intermediate Similarity	NPC192658
0.8344	Intermediate Similarity	NPC282239
0.8344	Intermediate Similarity	NPC469730
0.8344	Intermediate Similarity	NPC473632
0.8344	Intermediate Similarity	NPC132599
0.8344	Intermediate Similarity	NPC473611
0.8333	Intermediate Similarity	NPC87934
0.8333	Intermediate Similarity	NPC162613
0.8333	Intermediate Similarity	NPC472547
0.8322	Intermediate Similarity	NPC165260
0.8322	Intermediate Similarity	NPC7095
0.8322	Intermediate Similarity	NPC39549
0.8322	Intermediate Similarity	NPC112216
0.8322	Intermediate Similarity	NPC161239
0.8322	Intermediate Similarity	NPC470245
0.8322	Intermediate Similarity	NPC473214
0.8322	Intermediate Similarity	NPC198455
0.831	Intermediate Similarity	NPC291638
0.831	Intermediate Similarity	NPC270364
0.831	Intermediate Similarity	NPC477893
0.831	Intermediate Similarity	NPC472577
0.831	Intermediate Similarity	NPC477367
0.831	Intermediate Similarity	NPC195647
0.831	Intermediate Similarity	NPC17877
0.831	Intermediate Similarity	NPC66761
0.831	Intermediate Similarity	NPC232888
0.8299	Intermediate Similarity	NPC125882
0.8299	Intermediate Similarity	NPC311825
0.8299	Intermediate Similarity	NPC471162
0.8299	Intermediate Similarity	NPC478264
0.8299	Intermediate Similarity	NPC92867
0.8298	Intermediate Similarity	NPC477364
0.8289	Intermediate Similarity	NPC106895
0.8288	Intermediate Similarity	NPC163087
0.8288	Intermediate Similarity	NPC153214
0.8286	Intermediate Similarity	NPC72915
0.8278	Intermediate Similarity	NPC134685
0.8278	Intermediate Similarity	NPC11588
0.8278	Intermediate Similarity	NPC229545
0.8278	Intermediate Similarity	NPC248265
0.8278	Intermediate Similarity	NPC219419
0.8276	Intermediate Similarity	NPC266374
0.8276	Intermediate Similarity	NPC473654
0.8267	Intermediate Similarity	NPC101043
0.8267	Intermediate Similarity	NPC306799
0.8261	Intermediate Similarity	NPC169913
0.8258	Intermediate Similarity	NPC55744
0.8255	Intermediate Similarity	NPC476975
0.8243	Intermediate Similarity	NPC48599
0.8243	Intermediate Similarity	NPC209592
0.8243	Intermediate Similarity	NPC20255
0.8243	Intermediate Similarity	NPC469513
0.8243	Intermediate Similarity	NPC240115
0.8243	Intermediate Similarity	NPC312393
0.8239	Intermediate Similarity	NPC203486
0.8235	Intermediate Similarity	NPC472393
0.8235	Intermediate Similarity	NPC181924
0.8231	Intermediate Similarity	NPC472569
0.8231	Intermediate Similarity	NPC475122
0.8231	Intermediate Similarity	NPC95265
0.8231	Intermediate Similarity	NPC11685
0.8231	Intermediate Similarity	NPC95810
0.8231	Intermediate Similarity	NPC475759
0.8231	Intermediate Similarity	NPC57628
0.8231	Intermediate Similarity	NPC188865
0.8231	Intermediate Similarity	NPC470152
0.8231	Intermediate Similarity	NPC125106
0.8231	Intermediate Similarity	NPC163719
0.8231	Intermediate Similarity	NPC472573
0.8231	Intermediate Similarity	NPC25768
0.8231	Intermediate Similarity	NPC70716
0.8231	Intermediate Similarity	NPC472570
0.8231	Intermediate Similarity	NPC476974
0.8231	Intermediate Similarity	NPC241951
0.8231	Intermediate Similarity	NPC470231
0.8224	Intermediate Similarity	NPC26033
0.8224	Intermediate Similarity	NPC114357
0.8224	Intermediate Similarity	NPC473670
0.8224	Intermediate Similarity	NPC155329
0.8224	Intermediate Similarity	NPC259144
0.8224	Intermediate Similarity	NPC228204
0.8224	Intermediate Similarity	NPC21410
0.8219	Intermediate Similarity	NPC34012
0.8217	Intermediate Similarity	NPC61891
0.8214	Intermediate Similarity	NPC42234
0.8214	Intermediate Similarity	NPC272946
0.8205	Intermediate Similarity	NPC66193
0.82	Intermediate Similarity	NPC91730
0.82	Intermediate Similarity	NPC476173
0.82	Intermediate Similarity	NPC254558
0.8194	Intermediate Similarity	NPC183122
0.8194	Intermediate Similarity	NPC475373
0.8194	Intermediate Similarity	NPC283375
0.8188	Intermediate Similarity	NPC217918
0.8188	Intermediate Similarity	NPC473760
0.8188	Intermediate Similarity	NPC470765
0.8188	Intermediate Similarity	NPC275576
0.8188	Intermediate Similarity	NPC327031
0.8182	Intermediate Similarity	NPC471102
0.8182	Intermediate Similarity	NPC477896
0.8182	Intermediate Similarity	NPC49297
0.8176	Intermediate Similarity	NPC29704
0.8176	Intermediate Similarity	NPC473088
0.8176	Intermediate Similarity	NPC158663
0.8176	Intermediate Similarity	NPC171525
0.8176	Intermediate Similarity	NPC177940
0.8176	Intermediate Similarity	NPC469349
0.8176	Intermediate Similarity	NPC472575
0.8176	Intermediate Similarity	NPC472568
0.8176	Intermediate Similarity	NPC470157
0.8176	Intermediate Similarity	NPC70403
0.8176	Intermediate Similarity	NPC471104
0.8176	Intermediate Similarity	NPC174982
0.8176	Intermediate Similarity	NPC472572
0.8176	Intermediate Similarity	NPC200471
0.8176	Intermediate Similarity	NPC470159
0.8176	Intermediate Similarity	NPC96903
0.8176	Intermediate Similarity	NPC476973
0.8176	Intermediate Similarity	NPC472571
0.8176	Intermediate Similarity	NPC184817
0.817	Intermediate Similarity	NPC217091
0.8158	Intermediate Similarity	NPC237549
0.8158	Intermediate Similarity	NPC256142
0.8158	Intermediate Similarity	NPC257213
0.8158	Intermediate Similarity	NPC77719
0.8158	Intermediate Similarity	NPC1173
0.8158	Intermediate Similarity	NPC472022
0.8158	Intermediate Similarity	NPC472005
0.8158	Intermediate Similarity	NPC473414
0.8158	Intermediate Similarity	NPC158333
0.8158	Intermediate Similarity	NPC265395
0.8158	Intermediate Similarity	NPC472030
0.8158	Intermediate Similarity	NPC242262
0.8158	Intermediate Similarity	NPC304876
0.8158	Intermediate Similarity	NPC249471

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC183540 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	219
0.1-0.2	787
0.2-0.3	1404
0.3-0.4	2561
0.4-0.5	2395
0.5-0.6	1292
0.6-0.7	467
0.7-0.8	34
0.8-0.85	2
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8425	Intermediate Similarity	NPD7236	Approved
0.8146	Intermediate Similarity	NPD7239	Suspended
0.7683	Intermediate Similarity	NPD7799	Discontinued
0.7673	Intermediate Similarity	NPD7057	Phase 3
0.7673	Intermediate Similarity	NPD7058	Phase 2
0.7603	Intermediate Similarity	NPD7961	Discontinued
0.7466	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7396	Intermediate Similarity	NPD8368	Discontinued
0.7379	Intermediate Similarity	NPD6007	Clinical (unspecified phase)
0.7376	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD8407	Phase 2
0.7283	Intermediate Similarity	NPD8434	Phase 2
0.7283	Intermediate Similarity	NPD8424	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7259	Intermediate Similarity	NPD2182	Approved
0.7219	Intermediate Similarity	NPD8470	Clinical (unspecified phase)
0.7203	Intermediate Similarity	NPD7457	Clinical (unspecified phase)
0.7194	Intermediate Similarity	NPD2629	Approved
0.7181	Intermediate Similarity	NPD3764	Approved
0.7143	Intermediate Similarity	NPD4198	Discontinued
0.7132	Intermediate Similarity	NPD6831	Clinical (unspecified phase)
0.7115	Intermediate Similarity	NPD4628	Phase 3
0.7114	Intermediate Similarity	NPD7008	Discontinued
0.7102	Intermediate Similarity	NPD8360	Approved
0.7102	Intermediate Similarity	NPD8435	Approved
0.7102	Intermediate Similarity	NPD8361	Approved
0.7086	Intermediate Similarity	NPD7966	Clinical (unspecified phase)
0.7071	Intermediate Similarity	NPD5951	Approved
0.7037	Intermediate Similarity	NPD6599	Discontinued
0.7034	Intermediate Similarity	NPD6287	Discontinued
0.7013	Intermediate Similarity	NPD2799	Discontinued
0.7012	Intermediate Similarity	NPD5761	Phase 2
0.7012	Intermediate Similarity	NPD7819	Suspended
0.7012	Intermediate Similarity	NPD5760	Phase 2
0.7	Intermediate Similarity	NPD6273	Approved
0.6994	Remote Similarity	NPD6765	Approved
0.6994	Remote Similarity	NPD6764	Approved
0.6993	Remote Similarity	NPD7741	Discontinued
0.6963	Remote Similarity	NPD164	Approved
0.695	Remote Similarity	NPD690	Clinical (unspecified phase)
0.6943	Remote Similarity	NPD7421	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD2532	Approved
0.6937	Remote Similarity	NPD2534	Approved
0.6937	Remote Similarity	NPD2533	Approved
0.6923	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6923	Remote Similarity	NPD7610	Discontinued
0.6923	Remote Similarity	NPD2346	Discontinued
0.6909	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6899	Remote Similarity	NPD8166	Discontinued
0.6893	Remote Similarity	NPD8150	Discontinued
0.6889	Remote Similarity	NPD1930	Approved
0.6889	Remote Similarity	NPD1929	Approved
0.6889	Remote Similarity	NPD1931	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD9545	Approved
0.6871	Remote Similarity	NPD3226	Approved
0.6871	Remote Similarity	NPD7458	Discontinued
0.6868	Remote Similarity	NPD8485	Approved
0.6859	Remote Similarity	NPD2935	Discontinued
0.6857	Remote Similarity	NPD1609	Clinical (unspecified phase)
0.6836	Remote Similarity	NPD6784	Approved
0.6836	Remote Similarity	NPD6785	Approved
0.6815	Remote Similarity	NPD7702	Clinical (unspecified phase)
0.6809	Remote Similarity	NPD6858	Approved
0.6809	Remote Similarity	NPD7094	Approved
0.6797	Remote Similarity	NPD6663	Approved
0.6795	Remote Similarity	NPD7305	Phase 1
0.6792	Remote Similarity	NPD7003	Approved
0.6791	Remote Similarity	NPD2066	Phase 3
0.6791	Remote Similarity	NPD1238	Approved
0.6786	Remote Similarity	NPD7075	Discontinued
0.6781	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.677	Remote Similarity	NPD6799	Approved
0.6768	Remote Similarity	NPD6591	Clinical (unspecified phase)
0.6765	Remote Similarity	NPD8127	Discontinued
0.6765	Remote Similarity	NPD6647	Phase 2
0.6757	Remote Similarity	NPD8486	Clinical (unspecified phase)
0.6755	Remote Similarity	NPD5736	Approved
0.675	Remote Similarity	NPD6190	Approved
0.674	Remote Similarity	NPD7879	Clinical (unspecified phase)
0.6732	Remote Similarity	NPD2313	Discontinued
0.6728	Remote Similarity	NPD4378	Clinical (unspecified phase)
0.6728	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6715	Remote Similarity	NPD1237	Approved
0.6714	Remote Similarity	NPD2067	Discontinued
0.671	Remote Similarity	NPD230	Phase 1
0.671	Remote Similarity	NPD6355	Discontinued
0.6709	Remote Similarity	NPD5763	Approved
0.6709	Remote Similarity	NPD5762	Approved
0.6705	Remote Similarity	NPD7473	Discontinued
0.6689	Remote Similarity	NPD5740	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD6085	Phase 2
0.6687	Remote Similarity	NPD3750	Approved
0.6667	Remote Similarity	NPD4141	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6647	Remote Similarity	NPD5537	Clinical (unspecified phase)
0.6646	Remote Similarity	NPD6100	Approved
0.6646	Remote Similarity	NPD6099	Approved
0.6644	Remote Similarity	NPD7009	Phase 2
0.6644	Remote Similarity	NPD1608	Approved
0.6644	Remote Similarity	NPD3972	Approved
0.6629	Remote Similarity	NPD5844	Phase 1
0.6623	Remote Similarity	NPD6859	Clinical (unspecified phase)
0.6619	Remote Similarity	NPD6685	Approved
0.661	Remote Similarity	NPD7685	Pre-registration
0.6604	Remote Similarity	NPD6005	Phase 3
0.6604	Remote Similarity	NPD6004	Phase 3
0.6604	Remote Similarity	NPD6003	Clinical (unspecified phase)
0.6604	Remote Similarity	NPD6002	Phase 3
0.6604	Remote Similarity	NPD1471	Phase 3
0.6604	Remote Similarity	NPD6006	Clinical (unspecified phase)
0.6587	Remote Similarity	NPD7411	Suspended
0.6584	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6582	Remote Similarity	NPD3748	Approved
0.6581	Remote Similarity	NPD8032	Phase 2
0.6577	Remote Similarity	NPD4807	Approved
0.6577	Remote Similarity	NPD4806	Approved
0.6569	Remote Similarity	NPD1932	Approved
0.6568	Remote Similarity	NPD5402	Approved
0.6568	Remote Similarity	NPD3817	Phase 2
0.6566	Remote Similarity	NPD5808	Clinical (unspecified phase)
0.6561	Remote Similarity	NPD7497	Discontinued
0.6556	Remote Similarity	NPD1876	Approved
0.6556	Remote Similarity	NPD1283	Approved
0.6554	Remote Similarity	NPD5306	Approved
0.6554	Remote Similarity	NPD5305	Approved
0.6554	Remote Similarity	NPD5126	Approved
0.6554	Remote Similarity	NPD5125	Phase 3
0.6548	Remote Similarity	NPD6801	Discontinued
0.6543	Remote Similarity	NPD7274	Clinical (unspecified phase)
0.6541	Remote Similarity	NPD5404	Approved
0.6541	Remote Similarity	NPD5406	Approved
0.6541	Remote Similarity	NPD5405	Approved
0.6541	Remote Similarity	NPD5408	Approved
0.6538	Remote Similarity	NPD2979	Phase 3
0.6533	Remote Similarity	NPD6637	Approved
0.6532	Remote Similarity	NPD6232	Discontinued
0.6529	Remote Similarity	NPD7768	Phase 2
0.6529	Remote Similarity	NPD3882	Suspended
0.6525	Remote Similarity	NPD2329	Discontinued
0.6522	Remote Similarity	NPD2800	Approved
0.6516	Remote Similarity	NPD3268	Approved
0.6513	Remote Similarity	NPD1470	Approved
0.6512	Remote Similarity	NPD5494	Approved
0.6494	Remote Similarity	NPD6832	Phase 2
0.6491	Remote Similarity	NPD3749	Approved
0.6486	Remote Similarity	NPD5585	Approved
0.6478	Remote Similarity	NPD4308	Phase 3
0.6478	Remote Similarity	NPD1510	Phase 2
0.6475	Remote Similarity	NPD5909	Discontinued
0.6471	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD2798	Approved
0.6462	Remote Similarity	NPD8462	Phase 1
0.6461	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6456	Remote Similarity	NPD1607	Approved
0.6452	Remote Similarity	NPD7095	Approved
0.645	Remote Similarity	NPD37	Approved
0.6448	Remote Similarity	NPD8397	Clinical (unspecified phase)
0.6446	Remote Similarity	NPD920	Approved
0.6444	Remote Similarity	NPD8312	Approved
0.6444	Remote Similarity	NPD8313	Approved
0.6443	Remote Similarity	NPD3019	Approved
0.6443	Remote Similarity	NPD1778	Approved
0.6443	Remote Similarity	NPD2932	Approved
0.6443	Remote Similarity	NPD17	Approved
0.6438	Remote Similarity	NPD1551	Phase 2
0.6438	Remote Similarity	NPD2796	Approved
0.6437	Remote Similarity	NPD5711	Approved
0.6437	Remote Similarity	NPD7229	Phase 3
0.6437	Remote Similarity	NPD5710	Approved
0.6433	Remote Similarity	NPD4140	Approved
0.6433	Remote Similarity	NPD4868	Clinical (unspecified phase)
0.6433	Remote Similarity	NPD4967	Phase 2
0.6433	Remote Similarity	NPD4966	Approved
0.6433	Remote Similarity	NPD1240	Approved
0.6433	Remote Similarity	NPD4965	Approved
0.6429	Remote Similarity	NPD7028	Phase 2
0.6429	Remote Similarity	NPD4380	Phase 2
0.6429	Remote Similarity	NPD5048	Discontinued
0.6424	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6418	Remote Similarity	NPD5122	Clinical (unspecified phase)
0.6414	Remote Similarity	NPD6010	Discontinued
0.6412	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.641	Remote Similarity	NPD1699	Clinical (unspecified phase)
0.6405	Remote Similarity	NPD2797	Approved
0.6403	Remote Similarity	NPD5765	Approved
0.6402	Remote Similarity	NPD3300	Phase 2
0.64	Remote Similarity	NPD4136	Approved
0.64	Remote Similarity	NPD4135	Approved
0.64	Remote Similarity	NPD4106	Approved
0.6398	Remote Similarity	NPD6535	Approved
0.6398	Remote Similarity	NPD6534	Approved
0.6395	Remote Similarity	NPD9493	Approved
0.6391	Remote Similarity	NPD7615	Clinical (unspecified phase)
0.6387	Remote Similarity	NPD7435	Discontinued
0.6387	Remote Similarity	NPD7055	Discontinued
0.6386	Remote Similarity	NPD7314	Clinical (unspecified phase)
0.6386	Remote Similarity	NPD5049	Phase 3
0.6383	Remote Similarity	NPD7700	Phase 2

Structure

NPC183540 OpenBabel07101719132D 36 40 0 0 1 0 0 0 0 0999 V2000 -1.6701 -5.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 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 0.8660 1.5000 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 6.5633 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 0.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9286 -0.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3051 -1.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 -3.4092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7969 -1.8653 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 1.5283 -3.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 -2.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -4.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 2 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 2.0917 -2.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3163 -1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1490 -2.9888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0441 -4.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 -2.3372 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 0.5311 -3.7219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4645 -5.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 -3.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -3.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9972 -2.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -2.1881 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 16 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 9 20 2 0 0 0 0 10 20 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 19 2 0 0 0 0 12 21 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 24 1 0 0 0 0 17 29 1 6 0 0 0 18 30 2 0 0 0 0 18 36 1 0 0 0 0 20 25 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 6 0 0 0 22 27 1 1 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 23 28 1 1 0 0 0 24 27 1 0 0 0 0 24 31 2 0 0 0 0 25 32 2 0 0 0 0 25 35 1 0 0 0 0 26 28 1 0 0 0 0 27 33 1 1 0 0 0 28 36 1 6 0 0 0 29 34 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	24812993
ChEMBL	CHEMBL516716
ZINC

Physicochemical Properties

Molecular Weight:	494.23
ALogP:	0.2183
MLogP:	3.88
XLogP:	3.775
# Rotatable Bonds:	13
Polar Surface Area:	110.13
# H-Bond Aceptor:	7
# H-Bond Donor:	2
# Rings:	5
# Heavy Atoms:	36

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