NPASS Natural Product

Natural Product: NPC326529

Natural Product ID:	NPC326529
Common Name:	Ap3A
IUPAC Name:	bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Synonyms:
Molecular Formula:	C20H27N10O16P3
Standard InCHIKey:	QCICUPZZLIQAPA-XPWFQUROSA-N
Standard InCHI:	InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Canonical SMILES:	O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
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
NPO1797	Homo sapiens	Species	Hominidae	Eukaryota	blood			PMID[12738682]
NPO20338	Mus musculus	Species	Muridae	Eukaryota				PMID[19425150]

Biological Activity

Activity Type	# Activity
EC50	1
Others	3

Activity Type	# Activity
Individual Protein	1
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT3831	Individual Protein	Purinergic receptor P2Y1	Rattus norvegicus	EC50	=	60	nM	16539385
NPT2	Others	Unspecified		Activity	=	88.7	%	21757356
NPT2	Others	Unspecified		Activity	=	95	%	21757356
NPT2	Others	Unspecified		Ratio	=	0.15		23726029

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 NPC326529 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	668
0.1-0.2	22113
0.2-0.3	5177
0.3-0.4	2370
0.4-0.5	413
0.5-0.6	55
0.6-0.7	19
0.7-0.8	36
0.8-0.85	20
0.85-0.9	13
0.9-0.95	2
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9936	High Similarity	NPC324198
0.9936	High Similarity	NPC319100
0.9744	High Similarity	NPC326082
0.9045	High Similarity	NPC226245
0.9038	High Similarity	NPC174802
0.8974	High Similarity	NPC130586
0.8974	High Similarity	NPC212551
0.8974	High Similarity	NPC164952
0.8974	High Similarity	NPC302778
0.8882	High Similarity	NPC323091
0.8861	High Similarity	NPC224076
0.8846	High Similarity	NPC161224
0.8846	High Similarity	NPC185991
0.8846	High Similarity	NPC85689
0.8846	High Similarity	NPC211025
0.879	High Similarity	NPC321814
0.8688	High Similarity	NPC316618
0.8654	High Similarity	NPC121222
0.8462	Intermediate Similarity	NPC21448
0.8462	Intermediate Similarity	NPC156461
0.8462	Intermediate Similarity	NPC107374
0.8412	Intermediate Similarity	NPC189261
0.8408	Intermediate Similarity	NPC164665
0.8408	Intermediate Similarity	NPC189068
0.8354	Intermediate Similarity	NPC219313
0.8354	Intermediate Similarity	NPC309832
0.8354	Intermediate Similarity	NPC269827
0.8333	Intermediate Similarity	NPC229974
0.8205	Intermediate Similarity	NPC161659
0.8205	Intermediate Similarity	NPC209525
0.8166	Intermediate Similarity	NPC321458
0.8166	Intermediate Similarity	NPC324033
0.8144	Intermediate Similarity	NPC14590
0.8107	Intermediate Similarity	NPC261595
0.8101	Intermediate Similarity	NPC314152
0.8098	Intermediate Similarity	NPC472816
0.8089	Intermediate Similarity	NPC317821
0.8012	Intermediate Similarity	NPC239737
0.7879	Intermediate Similarity	NPC207633
0.7799	Intermediate Similarity	NPC129756
0.7758	Intermediate Similarity	NPC150853
0.7697	Intermediate Similarity	NPC136349
0.7692	Intermediate Similarity	NPC311197
0.7692	Intermediate Similarity	NPC54320
0.7692	Intermediate Similarity	NPC313754
0.7665	Intermediate Similarity	NPC328479
0.7647	Intermediate Similarity	NPC195140
0.7633	Intermediate Similarity	NPC52238
0.7625	Intermediate Similarity	NPC30326
0.7622	Intermediate Similarity	NPC64705
0.7622	Intermediate Similarity	NPC232408
0.7561	Intermediate Similarity	NPC317746
0.7561	Intermediate Similarity	NPC274384
0.7561	Intermediate Similarity	NPC89147
0.7561	Intermediate Similarity	NPC177169
0.7516	Intermediate Similarity	NPC33996
0.75	Intermediate Similarity	NPC320818
0.75	Intermediate Similarity	NPC251233
0.75	Intermediate Similarity	NPC211820
0.75	Intermediate Similarity	NPC318590
0.7378	Intermediate Similarity	NPC186619
0.7337	Intermediate Similarity	NPC326694
0.7333	Intermediate Similarity	NPC313897
0.733	Intermediate Similarity	NPC324484
0.7303	Intermediate Similarity	NPC290959
0.7288	Intermediate Similarity	NPC325906
0.7283	Intermediate Similarity	NPC93365
0.7246	Intermediate Similarity	NPC107160
0.7243	Intermediate Similarity	NPC24589
0.7219	Intermediate Similarity	NPC282458
0.7219	Intermediate Similarity	NPC78941
0.7073	Intermediate Similarity	NPC61198
0.7062	Intermediate Similarity	NPC21461
0.7012	Intermediate Similarity	NPC262926
0.6954	Remote Similarity	NPC321052
0.6947	Remote Similarity	NPC313514
0.6848	Remote Similarity	NPC319221
0.6788	Remote Similarity	NPC324009
0.6784	Remote Similarity	NPC276373
0.675	Remote Similarity	NPC5802
0.6725	Remote Similarity	NPC315642
0.6725	Remote Similarity	NPC74306
0.6716	Remote Similarity	NPC157821
0.6651	Remote Similarity	NPC158055
0.6541	Remote Similarity	NPC33382
0.6505	Remote Similarity	NPC168702
0.6505	Remote Similarity	NPC125659
0.6436	Remote Similarity	NPC222174
0.6355	Remote Similarity	NPC250178
0.6324	Remote Similarity	NPC321393
0.6159	Remote Similarity	NPC327579
0.6071	Remote Similarity	NPC160666
0.6012	Remote Similarity	NPC57279
0.5988	Remote Similarity	NPC104011
0.5988	Remote Similarity	NPC246193
0.5949	Remote Similarity	NPC476564
0.5882	Remote Similarity	NPC472834
0.5882	Remote Similarity	NPC248007
0.586	Remote Similarity	NPC87981
0.586	Remote Similarity	NPC174114
0.5849	Remote Similarity	NPC103388
0.5767	Remote Similarity	NPC4837
0.5767	Remote Similarity	NPC312187
0.5738	Remote Similarity	NPC324815
0.5729	Remote Similarity	NPC164845
0.5714	Remote Similarity	NPC287876
0.5706	Remote Similarity	NPC139776
0.5672	Remote Similarity	NPC315126
0.5672	Remote Similarity	NPC314774
0.5657	Remote Similarity	NPC14330

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC326529 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	176
0.1-0.2	2327
0.2-0.3	3442
0.3-0.4	2056
0.4-0.5	925
0.5-0.6	139
0.6-0.7	37
0.7-0.8	33
0.8-0.85	19
0.85-0.9	5
0.9-0.95	1
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9936	High Similarity	NPD4171	Clinical (unspecified phase)
0.9038	High Similarity	NPD339	Approved
0.8974	High Similarity	NPD338	Approved
0.8861	High Similarity	NPD169	Phase 2
0.8846	High Similarity	NPD283	Approved
0.8734	High Similarity	NPD242	Approved
0.8538	High Similarity	NPD4744	Clinical (unspecified phase)
0.848	Intermediate Similarity	NPD4716	Approved
0.8462	Intermediate Similarity	NPD249	Approved
0.8462	Intermediate Similarity	NPD250	Approved
0.8385	Intermediate Similarity	NPD1369	Phase 2
0.8354	Intermediate Similarity	NPD195	Approved
0.8354	Intermediate Similarity	NPD186	Discovery
0.8272	Intermediate Similarity	NPD1750	Clinical (unspecified phase)
0.8272	Intermediate Similarity	NPD3107	Discontinued
0.8253	Intermediate Similarity	NPD3083	Approved
0.8232	Intermediate Similarity	NPD2624	Phase 2
0.8232	Intermediate Similarity	NPD2646	Discontinued
0.8214	Intermediate Similarity	NPD7988	Suspended
0.815	Intermediate Similarity	NPD1412	Clinical (unspecified phase)
0.8121	Intermediate Similarity	NPD1732	Phase 3
0.8107	Intermediate Similarity	NPD247	Clinical (unspecified phase)
0.8101	Intermediate Similarity	NPD185	Approved
0.8072	Intermediate Similarity	NPD4074	Clinical (unspecified phase)
0.8034	Intermediate Similarity	NPD6417	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD166	Approved
0.7975	Intermediate Similarity	NPD193	Suspended
0.7849	Intermediate Similarity	NPD2647	Phase 3
0.7845	Intermediate Similarity	NPD2632	Approved
0.7845	Intermediate Similarity	NPD2630	Approved
0.7845	Intermediate Similarity	NPD2631	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD5666	Phase 2
0.7758	Intermediate Similarity	NPD3085	Phase 1
0.7722	Intermediate Similarity	NPD1692	Approved
0.7711	Intermediate Similarity	NPD3086	Phase 3
0.7697	Intermediate Similarity	NPD548	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD218	Approved
0.7692	Intermediate Similarity	NPD216	Approved
0.7692	Intermediate Similarity	NPD217	Approved
0.7692	Intermediate Similarity	NPD220	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD219	Phase 3
0.7515	Intermediate Similarity	NPD213	Clinical (unspecified phase)
0.7515	Intermediate Similarity	NPD214	Approved
0.7514	Intermediate Similarity	NPD4054	Clinical (unspecified phase)
0.7455	Intermediate Similarity	NPD7158	Phase 1
0.7296	Intermediate Similarity	NPD248	Discontinued
0.7288	Intermediate Similarity	NPD1777	Approved
0.7288	Intermediate Similarity	NPD1776	Approved
0.7283	Intermediate Similarity	NPD546	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD5682	Phase 3
0.7258	Intermediate Similarity	NPD5684	Clinical (unspecified phase)
0.7258	Intermediate Similarity	NPD5683	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD9633	Phase 3
0.7188	Intermediate Similarity	NPD9632	Phase 3
0.717	Intermediate Similarity	NPD870	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD9408	Phase 3
0.7108	Intermediate Similarity	NPD3696	Approved
0.7108	Intermediate Similarity	NPD3695	Approved
0.7073	Intermediate Similarity	NPD252	Clinical (unspecified phase)
0.6966	Remote Similarity	NPD516	Clinical (unspecified phase)
0.6947	Remote Similarity	NPD7138	Phase 2
0.6905	Remote Similarity	NPD549	Approved
0.6895	Remote Similarity	NPD1063	Phase 2
0.6893	Remote Similarity	NPD5080	Phase 2
0.6845	Remote Similarity	NPD5079	Phase 2
0.6839	Remote Similarity	NPD3708	Phase 2
0.6807	Remote Similarity	NPD194	Clinical (unspecified phase)
0.6784	Remote Similarity	NPD4240	Approved
0.6766	Remote Similarity	NPD2965	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD536	Clinical (unspecified phase)
0.6733	Remote Similarity	NPD2876	Phase 3
0.6733	Remote Similarity	NPD2877	Clinical (unspecified phase)
0.6725	Remote Similarity	NPD582	Approved
0.6667	Remote Similarity	NPD2824	Phase 2
0.6651	Remote Similarity	NPD6840	Approved
0.661	Remote Similarity	NPD353	Discontinued
0.6579	Remote Similarity	NPD1046	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD171	Discontinued
0.6538	Remote Similarity	NPD2903	Clinical (unspecified phase)
0.6538	Remote Similarity	NPD2902	Phase 2
0.6522	Remote Similarity	NPD4495	Phase 1
0.6389	Remote Similarity	NPD231	Clinical (unspecified phase)
0.6298	Remote Similarity	NPD9605	Phase 3
0.6205	Remote Similarity	NPD7502	Clinical (unspecified phase)
0.6196	Remote Similarity	NPD9606	Approved
0.6159	Remote Similarity	NPD9607	Approved
0.6145	Remote Similarity	NPD1730	Discontinued
0.6078	Remote Similarity	NPD8250	Phase 2
0.6069	Remote Similarity	NPD209	Clinical (unspecified phase)
0.6058	Remote Similarity	NPD4458	Phase 2
0.6058	Remote Similarity	NPD4459	Clinical (unspecified phase)
0.6057	Remote Similarity	NPD6112	Approved
0.6024	Remote Similarity	NPD9409	Discontinued
0.6023	Remote Similarity	NPD799	Phase 1
0.6012	Remote Similarity	NPD545	Clinical (unspecified phase)
0.6	Remote Similarity	NPD527	Clinical (unspecified phase)
0.599	Remote Similarity	NPD2152	Clinical (unspecified phase)
0.5947	Remote Similarity	NPD2593	Clinical (unspecified phase)
0.5943	Remote Similarity	NPD1119	Phase 2
0.5922	Remote Similarity	NPD2253	Discontinued
0.592	Remote Similarity	NPD547	Clinical (unspecified phase)
0.5915	Remote Similarity	NPD9374	Approved
0.589	Remote Similarity	NPD9373	Approved
0.5886	Remote Similarity	NPD1058	Discontinued
0.5882	Remote Similarity	NPD9084	Phase 2
0.5877	Remote Similarity	NPD5486	Discontinued
0.5868	Remote Similarity	NPD307	Approved
0.5862	Remote Similarity	NPD282	Approved
0.5856	Remote Similarity	NPD6381	Phase 2
0.5847	Remote Similarity	NPD7531	Clinical (unspecified phase)
0.5833	Remote Similarity	NPD1430	Approved
0.5833	Remote Similarity	NPD1431	Approved
0.5815	Remote Similarity	NPD775	Approved
0.5794	Remote Similarity	NPD5458	Discontinued
0.5775	Remote Similarity	NPD34	Approved
0.5775	Remote Similarity	NPD4714	Approved
0.5775	Remote Similarity	NPD4713	Clinical (unspecified phase)
0.5775	Remote Similarity	NPD4715	Clinical (unspecified phase)
0.5767	Remote Similarity	NPD2452	Phase 2
0.5767	Remote Similarity	NPD2450	Phase 2
0.5767	Remote Similarity	NPD2453	Phase 2
0.5767	Remote Similarity	NPD2451	Phase 2
0.5756	Remote Similarity	NPD207	Discontinued
0.5714	Remote Similarity	NPD8829	Clinical (unspecified phase)
0.5708	Remote Similarity	NPD4599	Clinical (unspecified phase)
0.5706	Remote Similarity	NPD9083	Clinical (unspecified phase)
0.569	Remote Similarity	NPD1127	Approved
0.569	Remote Similarity	NPD1128	Approved
0.5667	Remote Similarity	NPD1808	Phase 1
0.5649	Remote Similarity	NPD6351	Discovery
0.5629	Remote Similarity	NPD9584	Phase 2
0.5628	Remote Similarity	NPD4089	Clinical (unspecified phase)
0.5625	Remote Similarity	NPD4555	Clinical (unspecified phase)
0.5619	Remote Similarity	NPD6036	Suspended
0.5604	Remote Similarity	NPD1118	Discontinued
0.5602	Remote Similarity	NPD1017	Clinical (unspecified phase)

Structure

CID326529 OpenBabel06191716192D 49 54 0 0 1 0 0 0 0 0999 V2000 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 4.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3126 2.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0873 5.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7989 -0.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5000 -1.1340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5308 5.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7989 1.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 3.0878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0878 -1.9430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3660 4.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0388 -1.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5089 6.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0068 2.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 4.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 4.0388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0388 -0.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8179 6.9579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9579 2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 5.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2637 2.9101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 4.1047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1047 1.6229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 6.3867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3867 0.4538 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2218 4.8479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -0.0462 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 2.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7788 -2.8940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 4.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -2.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 3.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 42 1 0 0 0 0 3 23 2 0 0 0 0 3 25 1 0 0 0 0 4 24 2 0 0 0 0 4 26 1 0 0 0 0 5 27 2 0 0 0 0 5 29 1 0 0 0 0 6 28 2 0 0 0 0 6 30 1 0 0 0 0 7 1 1 1 0 0 0 7 11 1 0 0 0 0 7 43 1 0 0 0 0 8 2 1 1 0 0 0 8 12 1 0 0 0 0 8 44 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 9 27 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 6 0 0 0 12 14 1 0 0 0 0 12 32 1 6 0 0 0 13 19 1 0 0 0 0 13 33 1 6 0 0 0 14 20 1 0 0 0 0 14 34 1 6 0 0 0 15 21 1 0 0 0 0 15 23 1 0 0 0 0 16 22 1 0 0 0 0 16 24 1 0 0 0 0 17 25 2 0 0 0 0 17 29 1 0 0 0 0 18 26 2 0 0 0 0 18 30 1 0 0 0 0 19 29 1 1 0 0 0 19 43 1 0 0 0 0 20 30 1 1 0 0 0 20 44 1 0 0 0 0 35 47 1 0 0 0 0 36 47 2 0 0 0 0 37 48 1 0 0 0 0 38 48 2 0 0 0 0 39 49 1 0 0 0 0 40 49 2 0 0 0 0 41 47 1 0 0 0 0 42 48 1 0 0 0 0 45 47 1 0 0 0 0 45 49 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	165381
ChEMBL	CHEMBL407938
ZINC

Physicochemical Properties

Molecular Weight:	756.08
ALogP:	-4.4446
MLogP:	0.47
XLogP:	-7.145
# Rotatable Bonds:	21
Polar Surface Area:	416.87
# H-Bond Aceptor:	26
# H-Bond Donor:	9
# Rings:	6
# Heavy Atoms:	49

Download Data

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General Info & Identifiers & Properties
Structure MOL file
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Biological Activities
Similar NPs/Drugs