NPASS Natural Product

Natural Product: NPC75377

Natural Product ID:	NPC75377
Common Name:	Isohemigossypol-1-Methyl Ester
IUPAC Name:	2,7-dihydroxy-8-methoxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Synonyms:	Isohemigossypol-1-Methyl Ester
Molecular Formula:	C16H18O4
Standard InCHIKey:	QWFNWXJYYIVFBK-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C16H18O4/c1-8(2)10-6-13(18)12(7-17)14-11(10)5-9(3)15(19)16(14)20-4/h5-8,18-19H,1-4H3
Canonical SMILES:	COc1c(O)c(C)cc2c1c(C=O)c(cc2C(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
NPO29953	Bombax malabaricum	Species	Malvaceae	Eukaryota				PMID[17764148]

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
NPT2511	Cell Line	HGC-27	Homo sapiens	IC50	>	10000	nM	19845338

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 NPC75377 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	281
0.1-0.2	1207
0.2-0.3	2231
0.3-0.4	5447
0.4-0.5	7682
0.5-0.6	2535
0.6-0.7	4326
0.7-0.8	5809
0.8-0.85	1193
0.85-0.9	166
0.9-0.95	12
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9396	High Similarity	NPC3744
0.9329	High Similarity	NPC70320
0.9267	High Similarity	NPC137125
0.9247	High Similarity	NPC275278
0.9156	High Similarity	NPC141574
0.911	High Similarity	NPC11314
0.9097	High Similarity	NPC141368
0.9073	High Similarity	NPC302783
0.9073	High Similarity	NPC473201
0.9048	High Similarity	NPC50954
0.9038	High Similarity	NPC144843
0.9013	High Similarity	NPC164912
0.8993	High Similarity	NPC39361
0.8947	High Similarity	NPC118427
0.8947	High Similarity	NPC144283
0.891	High Similarity	NPC47623
0.8903	High Similarity	NPC199463
0.8903	High Similarity	NPC37543
0.8889	High Similarity	NPC131121
0.8861	High Similarity	NPC270837
0.8859	High Similarity	NPC91694
0.8859	High Similarity	NPC300603
0.8846	High Similarity	NPC45846
0.8839	High Similarity	NPC5379
0.8839	High Similarity	NPC14561
0.8839	High Similarity	NPC213401
0.8839	High Similarity	NPC77807
0.8831	High Similarity	NPC93552
0.8805	High Similarity	NPC25361
0.8805	High Similarity	NPC26386
0.88	High Similarity	NPC73416
0.88	High Similarity	NPC160777
0.8797	High Similarity	NPC294965
0.8792	High Similarity	NPC46161
0.8792	High Similarity	NPC239608
0.879	High Similarity	NPC84571
0.8782	High Similarity	NPC178976
0.8774	High Similarity	NPC180901
0.8774	High Similarity	NPC300757
0.8758	High Similarity	NPC31132
0.8758	High Similarity	NPC472279
0.8742	High Similarity	NPC236132
0.8742	High Similarity	NPC197168
0.8734	High Similarity	NPC131905
0.8734	High Similarity	NPC66288
0.8734	High Similarity	NPC311740
0.8733	High Similarity	NPC309169
0.8733	High Similarity	NPC196941
0.8726	High Similarity	NPC85121
0.8725	High Similarity	NPC229218
0.8725	High Similarity	NPC192597
0.8725	High Similarity	NPC141817
0.8725	High Similarity	NPC169214
0.8725	High Similarity	NPC176030
0.8718	High Similarity	NPC279605
0.871	High Similarity	NPC107109
0.871	High Similarity	NPC62051
0.871	High Similarity	NPC474000
0.8707	High Similarity	NPC206207
0.8701	High Similarity	NPC272566
0.8701	High Similarity	NPC124842
0.8701	High Similarity	NPC115869
0.8684	High Similarity	NPC52692
0.8675	High Similarity	NPC68441
0.8671	High Similarity	NPC14353
0.8671	High Similarity	NPC56085
0.8671	High Similarity	NPC155302
0.8671	High Similarity	NPC21046
0.8671	High Similarity	NPC228785
0.8671	High Similarity	NPC36217
0.8671	High Similarity	NPC161947
0.8662	High Similarity	NPC167098
0.8662	High Similarity	NPC143328
0.8662	High Similarity	NPC179732
0.8662	High Similarity	NPC296044
0.8659	High Similarity	NPC139350
0.8658	High Similarity	NPC84273
0.8654	High Similarity	NPC134287
0.8654	High Similarity	NPC130589
0.8654	High Similarity	NPC472048
0.8645	High Similarity	NPC295646
0.8645	High Similarity	NPC180388
0.8645	High Similarity	NPC149889
0.8645	High Similarity	NPC312338
0.8634	High Similarity	NPC43319
0.8627	High Similarity	NPC55327
0.8625	High Similarity	NPC101769
0.8625	High Similarity	NPC7483
0.8625	High Similarity	NPC477689
0.8618	High Similarity	NPC58752
0.8616	High Similarity	NPC87431
0.8616	High Similarity	NPC61010
0.8616	High Similarity	NPC318081
0.8616	High Similarity	NPC278052
0.8616	High Similarity	NPC40491
0.8611	High Similarity	NPC41847
0.8608	High Similarity	NPC100123
0.8599	High Similarity	NPC474167
0.8599	High Similarity	NPC470762
0.8591	High Similarity	NPC82336
0.8591	High Similarity	NPC78987
0.859	High Similarity	NPC475770
0.8589	High Similarity	NPC131866
0.8589	High Similarity	NPC239440
0.8589	High Similarity	NPC246716
0.8589	High Similarity	NPC20543
0.8581	High Similarity	NPC78505
0.8581	High Similarity	NPC256406
0.8581	High Similarity	NPC306011
0.8581	High Similarity	NPC472838
0.858	High Similarity	NPC186392
0.858	High Similarity	NPC474024
0.858	High Similarity	NPC292788
0.858	High Similarity	NPC218226
0.858	High Similarity	NPC272485
0.8571	High Similarity	NPC303174
0.8571	High Similarity	NPC326520
0.8562	High Similarity	NPC470757
0.8562	High Similarity	NPC58373
0.8562	High Similarity	NPC474150
0.8562	High Similarity	NPC474162
0.8562	High Similarity	NPC201800
0.8553	High Similarity	NPC119224
0.8553	High Similarity	NPC474287
0.8553	High Similarity	NPC225351
0.8553	High Similarity	NPC472961
0.8553	High Similarity	NPC472962
0.8553	High Similarity	NPC475886
0.8553	High Similarity	NPC320359
0.8544	High Similarity	NPC299520
0.8544	High Similarity	NPC136674
0.8544	High Similarity	NPC241904
0.8544	High Similarity	NPC78103
0.8544	High Similarity	NPC217677
0.8544	High Similarity	NPC469584
0.8544	High Similarity	NPC129684
0.8544	High Similarity	NPC300727
0.8544	High Similarity	NPC165977
0.8544	High Similarity	NPC302258
0.8543	High Similarity	NPC84266
0.8537	High Similarity	NPC4200
0.8537	High Similarity	NPC471181
0.8535	High Similarity	NPC470327
0.8535	High Similarity	NPC39184
0.8535	High Similarity	NPC477503
0.8535	High Similarity	NPC82592
0.8535	High Similarity	NPC45849
0.8535	High Similarity	NPC200761
0.8535	High Similarity	NPC16082
0.8528	High Similarity	NPC26568
0.8526	High Similarity	NPC161778
0.8526	High Similarity	NPC113608
0.8526	High Similarity	NPC470338
0.8526	High Similarity	NPC268992
0.8526	High Similarity	NPC470337
0.8526	High Similarity	NPC471982
0.8526	High Similarity	NPC51824
0.8519	High Similarity	NPC263212
0.8519	High Similarity	NPC170245
0.8519	High Similarity	NPC37870
0.8516	High Similarity	NPC85131
0.8509	High Similarity	NPC248638
0.8509	High Similarity	NPC186686
0.8509	High Similarity	NPC220313
0.8509	High Similarity	NPC236521
0.8509	High Similarity	NPC156082
0.8509	High Similarity	NPC152659
0.8506	High Similarity	NPC166036
0.8506	High Similarity	NPC203077
0.8506	High Similarity	NPC238279
0.8506	High Similarity	NPC474903
0.8503	High Similarity	NPC113446
0.8503	High Similarity	NPC152209
0.85	High Similarity	NPC474186
0.85	High Similarity	NPC475883
0.85	High Similarity	NPC474351
0.85	High Similarity	NPC266314
0.85	High Similarity	NPC474187
0.8497	Intermediate Similarity	NPC138978
0.8491	Intermediate Similarity	NPC104876
0.8491	Intermediate Similarity	NPC315157
0.8491	Intermediate Similarity	NPC245891
0.8491	Intermediate Similarity	NPC477410
0.8491	Intermediate Similarity	NPC210459
0.8491	Intermediate Similarity	NPC235448
0.8491	Intermediate Similarity	NPC476242
0.8487	Intermediate Similarity	NPC142165
0.8485	Intermediate Similarity	NPC181523
0.8481	Intermediate Similarity	NPC472626
0.8481	Intermediate Similarity	NPC54928
0.8481	Intermediate Similarity	NPC274730
0.8481	Intermediate Similarity	NPC478223
0.8481	Intermediate Similarity	NPC142339
0.8481	Intermediate Similarity	NPC291878
0.8481	Intermediate Similarity	NPC195796
0.8481	Intermediate Similarity	NPC197751
0.8481	Intermediate Similarity	NPC150227
0.8481	Intermediate Similarity	NPC209614
0.8481	Intermediate Similarity	NPC35038
0.8481	Intermediate Similarity	NPC227062

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC75377 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	314
0.1-0.2	926
0.2-0.3	1508
0.3-0.4	2584
0.4-0.5	1964
0.5-0.6	1125
0.6-0.7	574
0.7-0.8	154
0.8-0.85	9
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8679	High Similarity	NPD6232	Discontinued
0.8675	High Similarity	NPD7422	Clinical (unspecified phase)
0.8634	High Similarity	NPD7473	Discontinued
0.8354	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8291	Intermediate Similarity	NPD1934	Approved
0.8239	Intermediate Similarity	NPD2801	Approved
0.814	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.8137	Intermediate Similarity	NPD3882	Suspended
0.8082	Intermediate Similarity	NPD9494	Approved
0.8077	Intermediate Similarity	NPD2534	Approved
0.8077	Intermediate Similarity	NPD2533	Approved
0.8077	Intermediate Similarity	NPD2532	Approved
0.7976	Intermediate Similarity	NPD5844	Phase 1
0.7939	Intermediate Similarity	NPD6959	Discontinued
0.7908	Intermediate Similarity	NPD2935	Discontinued
0.7904	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7904	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7904	Intermediate Similarity	NPD6166	Phase 2
0.7898	Intermediate Similarity	NPD1511	Approved
0.7879	Intermediate Similarity	NPD5494	Approved
0.7826	Intermediate Similarity	NPD4380	Phase 2
0.7811	Intermediate Similarity	NPD3818	Discontinued
0.7806	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7805	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7799	Intermediate Similarity	NPD1512	Approved
0.7791	Intermediate Similarity	NPD1465	Phase 2
0.7764	Intermediate Similarity	NPD3226	Approved
0.7744	Intermediate Similarity	NPD3817	Phase 2
0.7742	Intermediate Similarity	NPD2346	Discontinued
0.7736	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7719	Intermediate Similarity	NPD7074	Phase 3
0.7712	Intermediate Similarity	NPD1607	Approved
0.7711	Intermediate Similarity	NPD6234	Discontinued
0.7707	Intermediate Similarity	NPD4628	Phase 3
0.7697	Intermediate Similarity	NPD943	Approved
0.7683	Intermediate Similarity	NPD7819	Suspended
0.7673	Intermediate Similarity	NPD7390	Discontinued
0.7661	Intermediate Similarity	NPD7054	Approved
0.7635	Intermediate Similarity	NPD1283	Approved
0.763	Intermediate Similarity	NPD6559	Discontinued
0.7622	Intermediate Similarity	NPD37	Approved
0.7619	Intermediate Similarity	NPD1247	Approved
0.7616	Intermediate Similarity	NPD7472	Approved
0.7613	Intermediate Similarity	NPD2799	Discontinued
0.7613	Intermediate Similarity	NPD1510	Phase 2
0.7595	Intermediate Similarity	NPD7003	Approved
0.7582	Intermediate Similarity	NPD1240	Approved
0.7568	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7546	Intermediate Similarity	NPD7458	Discontinued
0.7545	Intermediate Similarity	NPD7075	Discontinued
0.753	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD2344	Approved
0.75	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD6599	Discontinued
0.75	Intermediate Similarity	NPD919	Approved
0.7486	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD4965	Approved
0.7485	Intermediate Similarity	NPD4966	Approved
0.7485	Intermediate Similarity	NPD4967	Phase 2
0.7471	Intermediate Similarity	NPD5710	Approved
0.7471	Intermediate Similarity	NPD5711	Approved
0.7471	Intermediate Similarity	NPD6797	Phase 2
0.747	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD4060	Phase 1
0.7468	Intermediate Similarity	NPD2979	Phase 3
0.7467	Intermediate Similarity	NPD1470	Approved
0.7466	Intermediate Similarity	NPD1651	Approved
0.7458	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD5408	Approved
0.7452	Intermediate Similarity	NPD5406	Approved
0.7452	Intermediate Similarity	NPD5404	Approved
0.7452	Intermediate Similarity	NPD5405	Approved
0.7444	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7443	Intermediate Similarity	NPD8313	Approved
0.7443	Intermediate Similarity	NPD8312	Approved
0.7432	Intermediate Similarity	NPD1281	Approved
0.7432	Intermediate Similarity	NPD1201	Approved
0.7429	Intermediate Similarity	NPD7251	Discontinued
0.7421	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD447	Suspended
0.7419	Intermediate Similarity	NPD230	Phase 1
0.7405	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7405	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7399	Intermediate Similarity	NPD7228	Approved
0.7386	Intermediate Similarity	NPD3027	Phase 3
0.7386	Intermediate Similarity	NPD7808	Phase 3
0.7358	Intermediate Similarity	NPD1549	Phase 2
0.7355	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7355	Intermediate Similarity	NPD3620	Phase 2
0.7346	Intermediate Similarity	NPD6799	Approved
0.7342	Intermediate Similarity	NPD1551	Phase 2
0.7342	Intermediate Similarity	NPD2438	Suspended
0.7337	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7333	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD2309	Approved
0.7326	Intermediate Similarity	NPD3926	Phase 2
0.7318	Intermediate Similarity	NPD8150	Discontinued
0.7312	Intermediate Similarity	NPD2800	Approved
0.7305	Intermediate Similarity	NPD6801	Discontinued
0.7303	Intermediate Similarity	NPD2798	Approved
0.7301	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7297	Intermediate Similarity	NPD4626	Approved
0.7296	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7278	Intermediate Similarity	NPD7768	Phase 2
0.7273	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7267	Intermediate Similarity	NPD3972	Approved
0.7261	Intermediate Similarity	NPD6651	Approved
0.7258	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7257	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD7411	Suspended
0.7233	Intermediate Similarity	NPD2796	Approved
0.7232	Intermediate Similarity	NPD7685	Pre-registration
0.7226	Intermediate Similarity	NPD2313	Discontinued
0.7222	Intermediate Similarity	NPD8434	Phase 2
0.7219	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7212	Intermediate Similarity	NPD920	Approved
0.7209	Intermediate Similarity	NPD7199	Phase 2
0.7184	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7178	Intermediate Similarity	NPD3300	Phase 2
0.7172	Intermediate Similarity	NPD5283	Phase 1
0.7166	Intermediate Similarity	NPD6779	Approved
0.7166	Intermediate Similarity	NPD6777	Approved
0.7166	Intermediate Similarity	NPD6782	Approved
0.7166	Intermediate Similarity	NPD6780	Approved
0.7166	Intermediate Similarity	NPD6776	Approved
0.7166	Intermediate Similarity	NPD6778	Approved
0.7166	Intermediate Similarity	NPD6781	Approved
0.716	Intermediate Similarity	NPD8166	Discontinued
0.7143	Intermediate Similarity	NPD6386	Approved
0.7143	Intermediate Similarity	NPD6385	Approved
0.7135	Intermediate Similarity	NPD3749	Approved
0.7135	Intermediate Similarity	NPD8151	Discontinued
0.7126	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7125	Intermediate Similarity	NPD6099	Approved
0.7125	Intermediate Similarity	NPD6100	Approved
0.7125	Intermediate Similarity	NPD2531	Phase 2
0.7117	Intermediate Similarity	NPD6190	Approved
0.7114	Intermediate Similarity	NPD5691	Approved
0.711	Intermediate Similarity	NPD8127	Discontinued
0.7108	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7102	Intermediate Similarity	NPD7177	Discontinued
0.7099	Intermediate Similarity	NPD6674	Discontinued
0.7095	Intermediate Similarity	NPD5536	Phase 2
0.7091	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7091	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6355	Discontinued
0.7081	Intermediate Similarity	NPD1471	Phase 3
0.7059	Intermediate Similarity	NPD1876	Approved
0.7056	Intermediate Similarity	NPD3534	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD4110	Phase 3
0.7055	Intermediate Similarity	NPD3750	Approved
0.7053	Intermediate Similarity	NPD7435	Discontinued
0.7048	Intermediate Similarity	NPD6273	Approved
0.7039	Intermediate Similarity	NPD1608	Approved
0.7034	Intermediate Similarity	NPD228	Approved
0.7032	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7025	Intermediate Similarity	NPD1613	Approved
0.7025	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7018	Intermediate Similarity	NPD5977	Approved
0.7018	Intermediate Similarity	NPD5402	Approved
0.7018	Intermediate Similarity	NPD5978	Approved
0.7006	Intermediate Similarity	NPD3764	Approved
0.7006	Intermediate Similarity	NPD3751	Discontinued
0.6994	Remote Similarity	NPD5698	Clinical (unspecified phase)
0.6987	Remote Similarity	NPD1529	Clinical (unspecified phase)
0.6982	Remote Similarity	NPD7028	Phase 2
0.6981	Remote Similarity	NPD1933	Approved
0.6974	Remote Similarity	NPD7782	Clinical (unspecified phase)
0.6974	Remote Similarity	NPD7783	Phase 2
0.6971	Remote Similarity	NPD3787	Discontinued
0.6971	Remote Similarity	NPD7229	Phase 3
0.697	Remote Similarity	NPD643	Clinical (unspecified phase)
0.6963	Remote Similarity	NPD7697	Approved
0.6963	Remote Similarity	NPD7696	Phase 3
0.6963	Remote Similarity	NPD7698	Approved
0.6959	Remote Similarity	NPD5760	Phase 2
0.6959	Remote Similarity	NPD5761	Phase 2
0.6951	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6951	Remote Similarity	NPD1878	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD7240	Approved
0.6943	Remote Similarity	NPD4625	Phase 3
0.6941	Remote Similarity	NPD6873	Phase 2
0.6932	Remote Similarity	NPD5242	Approved
0.6928	Remote Similarity	NPD9269	Phase 2
0.6927	Remote Similarity	NPD7870	Phase 2
0.6927	Remote Similarity	NPD7871	Phase 2
0.6923	Remote Similarity	NPD7090	Clinical (unspecified phase)
0.6914	Remote Similarity	NPD4477	Approved
0.6914	Remote Similarity	NPD4476	Approved
0.6913	Remote Similarity	NPD405	Clinical (unspecified phase)
0.6911	Remote Similarity	NPD2491	Approved
0.6911	Remote Similarity	NPD6823	Phase 2
0.691	Remote Similarity	NPD7893	Clinical (unspecified phase)
0.6907	Remote Similarity	NPD7701	Phase 2
0.6906	Remote Similarity	NPD4419	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD1203	Approved
0.6903	Remote Similarity	NPD1164	Approved

Structure

External Identifiers

PubChem CID	157642
ChEMBL	CHEMBL401282
ZINC

Physicochemical Properties

Molecular Weight:	274.12
ALogP:	0.0501
MLogP:	2.78
XLogP:	3.05
# Rotatable Bonds:	9
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	2
# Heavy Atoms:	20

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