Natural Product: NPC79496

Natural Product ID:  NPC79496
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Benzo[De]Isochromen-1(3H)-One
Molecular Formula:   C12H8O2
Standard InCHIKey:  UKOVZLWSUZKTRL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2
Canonical SMILES:  O=C1OCc2c3c1cccc3ccc2
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
NPO23659 Rostellularia procumbens NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 3981.07 nM PubChem BioAssay data set
NPT213 Individual Protein Cytochrome P450 2C19 Homo sapiens AC50 = 39810.72 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 100000 nM PubChem BioAssay data set
NPT6 Organism Plasmodium falciparum Plasmodium falciparum Potency 82.8 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 31622.8 nM PubChem BioAssay data set
NPT11 Individual Protein Guanine nucleotide-binding protein G(s), subunit alpha Homo sapiens Potency 35481.3 nM PubChem BioAssay data set
NPT2926 Individual Protein Thymidylate synthase Homo sapiens Ki = 47000 nM 23273520
NPT3941 Individual Protein Thymidylate synthase Escherichia coli K-12 Ki > 304000 nM 23273520
NPT535 Individual Protein Parathyroid hormone receptor Homo sapiens Potency 14125.4 nM PubChem BioAssay data set
NPT105 Individual Protein Muscleblind-like protein 1 Homo sapiens Potency 19952.6 nM PubChem BioAssay data set

  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 NPC79496 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.934 High Similarity NPC210089
0.934 High Similarity NPC167504
0.9099 High Similarity NPC228318
0.9029 High Similarity NPC42211
0.9 High Similarity NPC306740
0.8932 High Similarity NPC118343
0.8679 High Similarity NPC89886
0.8679 High Similarity NPC60679
0.8624 High Similarity NPC83628
0.8624 High Similarity NPC265407
0.8611 High Similarity NPC119271
0.8598 High Similarity NPC114594
0.8558 High Similarity NPC276775
0.8558 High Similarity NPC92754
0.8558 High Similarity NPC249912
0.8532 High Similarity NPC56493
0.8519 High Similarity NPC209632
0.8519 High Similarity NPC269457
0.8476 Intermediate Similarity NPC78701
0.8476 Intermediate Similarity NPC225060
0.8476 Intermediate Similarity NPC35448
0.8468 Intermediate Similarity NPC474157
0.8462 Intermediate Similarity NPC144547
0.8455 Intermediate Similarity NPC318327
0.8455 Intermediate Similarity NPC10251
0.8455 Intermediate Similarity NPC17417
0.8426 Intermediate Similarity NPC31786
0.8421 Intermediate Similarity NPC100353
0.8421 Intermediate Similarity NPC135730
0.8411 Intermediate Similarity NPC45613
0.8396 Intermediate Similarity NPC146351
0.8393 Intermediate Similarity NPC82899
0.8393 Intermediate Similarity NPC270699
0.8378 Intermediate Similarity NPC174099
0.8378 Intermediate Similarity NPC196246
0.8378 Intermediate Similarity NPC214067
0.8378 Intermediate Similarity NPC93084
0.8378 Intermediate Similarity NPC251854
0.8376 Intermediate Similarity NPC988
0.8376 Intermediate Similarity NPC289432
0.8365 Intermediate Similarity NPC130398
0.8333 Intermediate Similarity NPC474095
0.8333 Intermediate Similarity NPC295664
0.8333 Intermediate Similarity NPC255676
0.8319 Intermediate Similarity NPC13784
0.8319 Intermediate Similarity NPC128368
0.8319 Intermediate Similarity NPC272524
0.8319 Intermediate Similarity NPC223351
0.8318 Intermediate Similarity NPC70624
0.8304 Intermediate Similarity NPC260818
0.8304 Intermediate Similarity NPC305912
0.8304 Intermediate Similarity NPC1082
0.8288 Intermediate Similarity NPC269023
0.8288 Intermediate Similarity NPC99846
0.8273 Intermediate Similarity NPC30594
0.8273 Intermediate Similarity NPC37622
0.8246 Intermediate Similarity NPC307651
0.8246 Intermediate Similarity NPC196075
0.8246 Intermediate Similarity NPC308744
0.823 Intermediate Similarity NPC158282
0.823 Intermediate Similarity NPC321852
0.823 Intermediate Similarity NPC66208
0.822 Intermediate Similarity NPC232958
0.8214 Intermediate Similarity NPC273837
0.8208 Intermediate Similarity NPC270654
0.8182 Intermediate Similarity NPC107846
0.8174 Intermediate Similarity NPC474685
0.8174 Intermediate Similarity NPC228936
0.8174 Intermediate Similarity NPC210092
0.8165 Intermediate Similarity NPC301943
0.8165 Intermediate Similarity NPC474365
0.8125 Intermediate Similarity NPC85493
0.8125 Intermediate Similarity NPC469636
0.8103 Intermediate Similarity NPC149691
0.8099 Intermediate Similarity NPC228739
0.8095 Intermediate Similarity NPC261181
0.8087 Intermediate Similarity NPC196673
0.8087 Intermediate Similarity NPC477411
0.8087 Intermediate Similarity NPC153053
0.8077 Intermediate Similarity NPC119631
0.8073 Intermediate Similarity NPC188895
0.807 Intermediate Similarity NPC212415
0.8056 Intermediate Similarity NPC325497
0.8056 Intermediate Similarity NPC203925
0.8034 Intermediate Similarity NPC158157
0.8018 Intermediate Similarity NPC105899
0.7982 Intermediate Similarity NPC243355
0.7963 Intermediate Similarity NPC229242
0.7949 Intermediate Similarity NPC226093
0.7931 Intermediate Similarity NPC237366
0.7917 Intermediate Similarity NPC77000
0.7917 Intermediate Similarity NPC238861
0.7917 Intermediate Similarity NPC473243
0.7909 Intermediate Similarity NPC284477
0.7885 Intermediate Similarity NPC173443
0.7876 Intermediate Similarity NPC203732
0.7876 Intermediate Similarity NPC470391
0.7863 Intermediate Similarity NPC474408
0.7851 Intermediate Similarity NPC50872
0.785 Intermediate Similarity NPC172925
0.7833 Intermediate Similarity NPC204784
0.7823 Intermediate Similarity NPC275576
0.7823 Intermediate Similarity NPC470765
0.7815 Intermediate Similarity NPC45794
0.7815 Intermediate Similarity NPC469574
0.781 Intermediate Similarity NPC213156
0.781 Intermediate Similarity NPC240108
0.7807 Intermediate Similarity NPC474364
0.7767 Intermediate Similarity NPC318107
0.776 Intermediate Similarity NPC473220
0.776 Intermediate Similarity NPC470753
0.776 Intermediate Similarity NPC169913
0.7727 Intermediate Similarity NPC228435
0.7717 Intermediate Similarity NPC82712
0.7714 Intermediate Similarity NPC325709
0.7714 Intermediate Similarity NPC9822
0.7712 Intermediate Similarity NPC186933
0.7712 Intermediate Similarity NPC221275
0.7699 Intermediate Similarity NPC134120
0.7698 Intermediate Similarity NPC115797
0.7698 Intermediate Similarity NPC51448
0.7692 Intermediate Similarity NPC474176
0.7692 Intermediate Similarity NPC89377
0.7679 Intermediate Similarity NPC329556
0.7672 Intermediate Similarity NPC476003
0.7672 Intermediate Similarity NPC291799
0.7667 Intermediate Similarity NPC45104
0.7661 Intermediate Similarity NPC85511
0.7661 Intermediate Similarity NPC51079
0.7661 Intermediate Similarity NPC318067
0.7658 Intermediate Similarity NPC473325
0.7658 Intermediate Similarity NPC282895
0.7611 Intermediate Similarity NPC249067
0.7607 Intermediate Similarity NPC280789
0.7607 Intermediate Similarity NPC474314
0.7589 Intermediate Similarity NPC304873
0.7578 Intermediate Similarity NPC147561
0.757 Intermediate Similarity NPC103346
0.7568 Intermediate Similarity NPC217621
0.7568 Intermediate Similarity NPC472318
0.7568 Intermediate Similarity NPC98911
0.7565 Intermediate Similarity NPC211439
0.7563 Intermediate Similarity NPC470764
0.7559 Intermediate Similarity NPC428300
0.7547 Intermediate Similarity NPC220893
0.7547 Intermediate Similarity NPC418308
0.7542 Intermediate Similarity NPC161611
0.754 Intermediate Similarity NPC476599
0.7538 Intermediate Similarity NPC472656
0.7521 Intermediate Similarity NPC137315
0.7519 Intermediate Similarity NPC72915
0.7519 Intermediate Similarity NPC470278
0.75 Intermediate Similarity NPC269923
0.75 Intermediate Similarity NPC58616
0.75 Intermediate Similarity NPC167323
0.75 Intermediate Similarity NPC314329
0.75 Intermediate Similarity NPC294134
0.7481 Intermediate Similarity NPC126516
0.7481 Intermediate Similarity NPC329913
0.748 Intermediate Similarity NPC51292
0.748 Intermediate Similarity NPC233282
0.748 Intermediate Similarity NPC177925
0.7479 Intermediate Similarity NPC67377
0.7479 Intermediate Similarity NPC172525
0.7479 Intermediate Similarity NPC471721
0.7479 Intermediate Similarity NPC474363
0.7477 Intermediate Similarity NPC62765
0.7462 Intermediate Similarity NPC472394
0.746 Intermediate Similarity NPC246166
0.746 Intermediate Similarity NPC184219
0.7456 Intermediate Similarity NPC269644
0.7453 Intermediate Similarity NPC304760
0.7442 Intermediate Similarity NPC471832
0.744 Intermediate Similarity NPC472703
0.7438 Intermediate Similarity NPC190298
0.7434 Intermediate Similarity NPC25458
0.7424 Intermediate Similarity NPC477896
0.7424 Intermediate Similarity NPC477893
0.7419 Intermediate Similarity NPC472981
0.7417 Intermediate Similarity NPC476357
0.7405 Intermediate Similarity NPC183103
0.7402 Intermediate Similarity NPC100402
0.7402 Intermediate Similarity NPC9180
0.7398 Intermediate Similarity NPC137710
0.7398 Intermediate Similarity NPC35744
0.7398 Intermediate Similarity NPC201284
0.7398 Intermediate Similarity NPC202015
0.7388 Intermediate Similarity NPC301915
0.7388 Intermediate Similarity NPC261292
0.7387 Intermediate Similarity NPC253423
0.7385 Intermediate Similarity NPC469519
0.7385 Intermediate Similarity NPC475478
0.7381 Intermediate Similarity NPC472704
0.7381 Intermediate Similarity NPC328107
0.7377 Intermediate Similarity NPC469954
0.7377 Intermediate Similarity NPC152812
0.7373 Intermediate Similarity NPC474057
0.7368 Intermediate Similarity NPC470844
0.7368 Intermediate Similarity NPC234305
0.7364 Intermediate Similarity NPC301857

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC79496 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8932 High Similarity NPD1238 Approved
0.8468 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.8455 Intermediate Similarity NPD2182 Approved
0.8426 Intermediate Similarity NPD164 Approved
0.8095 Intermediate Similarity NPD1202 Approved
0.807 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.8017 Intermediate Similarity NPD5951 Approved
0.8 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7008 Discontinued
0.7917 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.785 Intermediate Similarity NPD688 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1989 Approved
0.7767 Intermediate Similarity NPD9259 Approved
0.7767 Intermediate Similarity NPD9257 Approved
0.7679 Intermediate Similarity NPD1930 Approved
0.7679 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD1929 Approved
0.7652 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7623 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD1237 Approved
0.75 Intermediate Similarity NPD1281 Approved
0.75 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6287 Discontinued
0.7477 Intermediate Similarity NPD9256 Approved
0.7477 Intermediate Similarity NPD9258 Approved
0.7456 Intermediate Similarity NPD5909 Discontinued
0.7407 Intermediate Similarity NPD1239 Approved
0.7385 Intermediate Similarity NPD3764 Approved
0.7333 Intermediate Similarity NPD2346 Discontinued
0.7323 Intermediate Similarity NPD1283 Approved
0.7317 Intermediate Similarity NPD9545 Approved
0.7281 Intermediate Similarity NPD1932 Approved
0.7273 Intermediate Similarity NPD1563 Approved
0.7273 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3373 Approved
0.7252 Intermediate Similarity NPD2313 Discontinued
0.7222 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD9260 Approved
0.7206 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD5667 Approved
0.7188 Intermediate Similarity NPD1876 Approved
0.7174 Intermediate Similarity NPD7003 Approved
0.7165 Intermediate Similarity NPD3972 Approved
0.7143 Intermediate Similarity NPD2979 Phase 3
0.7133 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD1651 Approved
0.7105 Intermediate Similarity NPD2066 Phase 3
0.7101 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD6832 Phase 2
0.7087 Intermediate Similarity NPD9490 Approved
0.708 Intermediate Similarity NPD1564 Approved
0.708 Intermediate Similarity NPD7702 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD1565 Approved
0.708 Intermediate Similarity NPD1566 Phase 3
0.7068 Intermediate Similarity NPD7713 Phase 3
0.7063 Intermediate Similarity NPD17 Approved
0.7059 Intermediate Similarity NPD3748 Approved
0.7054 Intermediate Similarity NPD2198 Approved
0.7054 Intermediate Similarity NPD2199 Approved
0.7049 Intermediate Similarity NPD1241 Discontinued
0.7045 Intermediate Similarity NPD6039 Approved
0.7037 Intermediate Similarity NPD1087 Approved
0.7018 Intermediate Similarity NPD9495 Approved
0.7018 Intermediate Similarity NPD5926 Approved
0.7016 Intermediate Similarity NPD9493 Approved
0.7014 Intermediate Similarity NPD6591 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3672 Approved
0.7 Intermediate Similarity NPD2067 Discontinued
0.7 Intermediate Similarity NPD3267 Approved
0.7 Intermediate Similarity NPD1164 Approved
0.7 Intermediate Similarity NPD3646 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3673 Approved
0.7 Intermediate Similarity NPD3266 Approved
0.6992 Remote Similarity NPD2629 Approved
0.6981 Remote Similarity NPD9491 Approved
0.696 Remote Similarity NPD2347 Approved
0.6952 Remote Similarity NPD942 Approved
0.695 Remote Similarity NPD7236 Approved
0.6947 Remote Similarity NPD2798 Approved
0.6939 Remote Similarity NPD7819 Suspended
0.6934 Remote Similarity NPD2799 Discontinued
0.693 Remote Similarity NPD3495 Discontinued
0.6923 Remote Similarity NPD6273 Approved
0.6917 Remote Similarity NPD2329 Discontinued
0.6911 Remote Similarity NPD6010 Discontinued
0.6905 Remote Similarity NPD1894 Discontinued
0.6899 Remote Similarity NPD1608 Approved
0.6899 Remote Similarity NPD4878 Approved
0.6889 Remote Similarity NPD4307 Phase 2
0.6884 Remote Similarity NPD2438 Suspended
0.6884 Remote Similarity NPD2531 Phase 2
0.6881 Remote Similarity NPD650 Approved
0.6879 Remote Similarity NPD3295 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1508 Approved
0.687 Remote Similarity NPD1203 Approved
0.687 Remote Similarity NPD2797 Approved
0.686 Remote Similarity NPD5240 Approved
0.686 Remote Similarity NPD5237 Approved
0.686 Remote Similarity NPD5235 Approved
0.686 Remote Similarity NPD5239 Approved
0.686 Remote Similarity NPD5236 Approved
0.685 Remote Similarity NPD5691 Approved
0.6847 Remote Similarity NPD1090 Approved
0.6847 Remote Similarity NPD1086 Approved
0.6847 Remote Similarity NPD1089 Approved
0.6846 Remote Similarity NPD182 Clinical (unspecified phase)
0.6838 Remote Similarity NPD1933 Approved
0.6835 Remote Similarity NPD7611 Approved
0.6829 Remote Similarity NPD7094 Approved
0.6829 Remote Similarity NPD6858 Approved
0.6827 Remote Similarity NPD227 Approved
0.6827 Remote Similarity NPD225 Approved
0.6822 Remote Similarity NPD1201 Approved
0.681 Remote Similarity NPD7798 Approved
0.6809 Remote Similarity NPD3750 Approved
0.6809 Remote Similarity NPD4628 Phase 3
0.6803 Remote Similarity NPD4141 Clinical (unspecified phase)
0.68 Remote Similarity NPD4198 Discontinued
0.6788 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7609 Phase 3
0.6786 Remote Similarity NPD2897 Discontinued
0.6781 Remote Similarity NPD3226 Approved
0.678 Remote Similarity NPD9261 Approved
0.6769 Remote Similarity NPD6637 Approved
0.6763 Remote Similarity NPD5406 Approved
0.6763 Remote Similarity NPD5405 Approved
0.6763 Remote Similarity NPD5404 Approved
0.6763 Remote Similarity NPD5408 Approved
0.6763 Remote Similarity NPD4476 Approved
0.6763 Remote Similarity NPD2935 Discontinued
0.6763 Remote Similarity NPD4477 Approved
0.6757 Remote Similarity NPD800 Approved
0.6746 Remote Similarity NPD4574 Approved
0.6746 Remote Similarity NPD4576 Approved
0.6744 Remote Similarity NPD4135 Approved
0.6744 Remote Similarity NPD4136 Approved
0.6744 Remote Similarity NPD4106 Approved
0.6742 Remote Similarity NPD553 Approved
0.6742 Remote Similarity NPD9567 Approved
0.6742 Remote Similarity NPD552 Approved
0.6742 Remote Similarity NPD1470 Approved
0.6741 Remote Similarity NPD3268 Approved
0.6739 Remote Similarity NPD2567 Approved
0.6739 Remote Similarity NPD2569 Approved
0.6727 Remote Similarity NPD1282 Approved
0.6726 Remote Similarity NPD7631 Approved
0.6726 Remote Similarity NPD1088 Approved
0.6723 Remote Similarity NPD3048 Approved
0.6723 Remote Similarity NPD3047 Approved
0.6723 Remote Similarity NPD3046 Approved
0.6721 Remote Similarity NPD1756 Approved
0.6721 Remote Similarity NPD1752 Approved
0.6718 Remote Similarity NPD5157 Phase 1
0.6718 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6718 Remote Similarity NPD5159 Phase 2
0.6715 Remote Similarity NPD4618 Approved
0.6715 Remote Similarity NPD4622 Approved
0.6715 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6714 Remote Similarity NPD1471 Phase 3
0.6713 Remote Similarity NPD643 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7239 Suspended
0.6696 Remote Similarity NPD1843 Approved
0.6694 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6693 Remote Similarity NPD6065 Approved
0.6692 Remote Similarity NPD4980 Approved
0.6692 Remote Similarity NPD1611 Approved
0.6692 Remote Similarity NPD1019 Discontinued
0.6691 Remote Similarity NPD4308 Phase 3
0.6689 Remote Similarity NPD7411 Suspended
0.6689 Remote Similarity NPD5889 Approved
0.6689 Remote Similarity NPD5890 Approved
0.6667 Remote Similarity NPD5305 Approved
0.6667 Remote Similarity NPD1549 Phase 2
0.6667 Remote Similarity NPD5126 Approved
0.6667 Remote Similarity NPD7458 Discontinued
0.6667 Remote Similarity NPD2201 Approved
0.6667 Remote Similarity NPD5125 Phase 3
0.6667 Remote Similarity NPD5306 Approved
0.6667 Remote Similarity NPD6966 Discovery
0.6667 Remote Similarity NPD2345 Approved
0.6667 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6643 Remote Similarity NPD3887 Approved
0.6643 Remote Similarity NPD2796 Approved
0.6641 Remote Similarity NPD2106 Clinical (unspecified phase)
0.6641 Remote Similarity NPD9717 Approved
0.6639 Remote Similarity NPD6647 Phase 2
0.6636 Remote Similarity NPD226 Approved
0.6621 Remote Similarity NPD642 Clinical (unspecified phase)
0.662 Remote Similarity NPD1243 Approved
0.6619 Remote Similarity NPD5688 Approved
0.6619 Remote Similarity NPD5689 Approved
0.6615 Remote Similarity NPD4879 Approved
0.6613 Remote Similarity NPD9508 Approved
0.6612 Remote Similarity NPD3134 Approved
0.6609 Remote Similarity NPD1693 Approved
0.66 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6596 Remote Similarity NPD2353 Approved
0.6596 Remote Similarity NPD2355 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   223824
ChEMBL   CHEMBL1479195
ZINC  

Physicochemical Properties

Molecular Weight:  184.05
ALogP:  -0.0795
MLogP:  2.56
XLogP:  3.92
# Rotatable Bonds:  0
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  14

Download Data

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Structure MOL file  
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Biological Activities  
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