Natural Product: NPC45389

Natural Product ID:  NPC45389
Common Name:   Isodictamnine
IUPAC Name:   9-methylfuro[2,3-b]quinolin-4-one
Synonyms:   Isodictamnine
Molecular Formula:   C12H9NO2
Standard InCHIKey:  FUVCJKNEOUWLPI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C12H9NO2/c1-13-10-5-3-2-4-8(10)11(14)9-6-7-15-12(9)13/h2-7H,1H3
Canonical SMILES:  Cn1c2ccccc2c(=O)c2c1occ2
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
NPO18723 Zanthoxylum avicennae Species Rutaceae Eukaryota stem wood Pakuashan, Changhua County, Taiwan 2006-JUN PMID[18211005]
NPO17936 Glycosmis arborea Species Rutaceae Eukaryota PMID[15387647]
NPO20279 Parmelia damaziana Species Parmeliaceae Eukaryota UNPD*
NPO19166 Helianthus niveus Species Asteraceae Eukaryota UNPD*
NPO15142 Echium plantagineum Species Boraginaceae Eukaryota UNPD*
NPO16406 Leptospermum recurvum Species Myrtaceae Eukaryota UNPD*
NPO13941 Aeollanthus buchnerianus Species Lamiaceae Eukaryota UNPD*
NPO18997 Hernandia sonora Species Hernandiaceae Eukaryota UNPD*
NPO29208 Dictamnus albus Species Rutaceae Eukaryota TCM_Taiwan*
NPO16000 Cetorhinus maximus Species Alopiidae Eukaryota UNPD*
NPO21284 Cynoglossum viridiflorum Species Boraginaceae Eukaryota UNPD*
NPO10791 Uvaria grandiflora Species Annonaceae Eukaryota TCMID*
NPO29208 Dictamnus albus Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 50000 nM 18211005
NPT2 Others Unspecified Activity = 18.4 % 15387647
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 15387647
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 15387647
NPT2 Others Unspecified Activity = 40.3 % 15387647
NPT2 Others Unspecified Activity = 72.2 % 15387647
NPT2 Others Unspecified Activity = 100 % 15387647

  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 NPC45389 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
0.9379 High Similarity NPC112937
0.9333 High Similarity NPC41216
0.84 Intermediate Similarity NPC471648
0.8023 Intermediate Similarity NPC471652
0.797 Intermediate Similarity NPC269367
0.7811 Intermediate Similarity NPC16066
0.7745 Intermediate Similarity NPC298436
0.7727 Intermediate Similarity NPC471649
0.7697 Intermediate Similarity NPC93653
0.768 Intermediate Similarity NPC471651
0.7656 Intermediate Similarity NPC254957
0.7638 Intermediate Similarity NPC198160
0.7576 Intermediate Similarity NPC207971
0.756 Intermediate Similarity NPC97746
0.7538 Intermediate Similarity NPC268077
0.7524 Intermediate Similarity NPC131885
0.75 Intermediate Similarity NPC71124
0.75 Intermediate Similarity NPC234933
0.7473 Intermediate Similarity NPC299582
0.7451 Intermediate Similarity NPC116178
0.7423 Intermediate Similarity NPC206109
0.7423 Intermediate Similarity NPC114039
0.7423 Intermediate Similarity NPC473004
0.7418 Intermediate Similarity NPC204867
0.7415 Intermediate Similarity NPC217903
0.7415 Intermediate Similarity NPC321166
0.7374 Intermediate Similarity NPC5374
0.7371 Intermediate Similarity NPC471647
0.7371 Intermediate Similarity NPC471646
0.7354 Intermediate Similarity NPC5167
0.7346 Intermediate Similarity NPC205372
0.7323 Intermediate Similarity NPC100863
0.7302 Intermediate Similarity NPC217176
0.7291 Intermediate Similarity NPC478075
0.7282 Intermediate Similarity NPC1820
0.7264 Intermediate Similarity NPC15987
0.7263 Intermediate Similarity NPC85613
0.7243 Intermediate Similarity NPC140296
0.7241 Intermediate Similarity NPC477161
0.723 Intermediate Similarity NPC122886
0.7206 Intermediate Similarity NPC308943
0.7202 Intermediate Similarity NPC473007
0.72 Intermediate Similarity NPC241263
0.7179 Intermediate Similarity NPC471650
0.717 Intermediate Similarity NPC329830
0.7129 Intermediate Similarity NPC55470
0.7095 Intermediate Similarity NPC242000
0.7085 Intermediate Similarity NPC230313
0.7081 Intermediate Similarity NPC257763
0.7079 Intermediate Similarity NPC138830
0.7077 Intermediate Similarity NPC87391
0.7072 Intermediate Similarity NPC168922
0.7067 Intermediate Similarity NPC220241
0.7067 Intermediate Similarity NPC295479
0.7056 Intermediate Similarity NPC473008
0.7047 Intermediate Similarity NPC197335
0.7045 Intermediate Similarity NPC34770
0.7028 Intermediate Similarity NPC195120
0.701 Intermediate Similarity NPC314659
0.701 Intermediate Similarity NPC288759
0.7 Intermediate Similarity NPC243626
0.7 Intermediate Similarity NPC198401
0.7 Intermediate Similarity NPC30749
0.6995 Remote Similarity NPC298320
0.6995 Remote Similarity NPC67904
0.6978 Remote Similarity NPC188400
0.6973 Remote Similarity NPC301163
0.6971 Remote Similarity NPC208170
0.6971 Remote Similarity NPC216149
0.6961 Remote Similarity NPC144691
0.6959 Remote Similarity NPC270301
0.6957 Remote Similarity NPC212123
0.6952 Remote Similarity NPC305542
0.6952 Remote Similarity NPC10732
0.6948 Remote Similarity NPC87560
0.6923 Remote Similarity NPC329567
0.6923 Remote Similarity NPC207873
0.6923 Remote Similarity NPC100573
0.6923 Remote Similarity NPC330683
0.6919 Remote Similarity NPC268223
0.691 Remote Similarity NPC308197
0.6907 Remote Similarity NPC283810
0.6906 Remote Similarity NPC223873
0.6905 Remote Similarity NPC220337
0.6886 Remote Similarity NPC1608
0.6884 Remote Similarity NPC118154
0.6884 Remote Similarity NPC157983
0.6882 Remote Similarity NPC133817
0.6882 Remote Similarity NPC476443
0.6881 Remote Similarity NPC308895
0.6875 Remote Similarity NPC222561
0.6869 Remote Similarity NPC21425
0.6869 Remote Similarity NPC182853
0.686 Remote Similarity NPC313112
0.686 Remote Similarity NPC301292
0.6858 Remote Similarity NPC166712
0.6837 Remote Similarity NPC27887
0.6828 Remote Similarity NPC160100
0.6828 Remote Similarity NPC208364
0.6827 Remote Similarity NPC45190
0.6825 Remote Similarity NPC146418
0.6821 Remote Similarity NPC222524
0.68 Remote Similarity NPC473569
0.6798 Remote Similarity NPC477258
0.6792 Remote Similarity NPC310211
0.6792 Remote Similarity NPC308137
0.6791 Remote Similarity NPC134702
0.6791 Remote Similarity NPC77777
0.6788 Remote Similarity NPC470548
0.6786 Remote Similarity NPC288305
0.6774 Remote Similarity NPC198503
0.6773 Remote Similarity NPC157931
0.6769 Remote Similarity NPC58209
0.6768 Remote Similarity NPC49184
0.6763 Remote Similarity NPC473005
0.6761 Remote Similarity NPC473006
0.6757 Remote Similarity NPC119669
0.675 Remote Similarity NPC169387
0.675 Remote Similarity NPC477259
0.6745 Remote Similarity NPC218303
0.6744 Remote Similarity NPC313327
0.6743 Remote Similarity NPC266425
0.6738 Remote Similarity NPC113946
0.6736 Remote Similarity NPC96901
0.6734 Remote Similarity NPC262725
0.6734 Remote Similarity NPC116007
0.6734 Remote Similarity NPC194040
0.6734 Remote Similarity NPC150308
0.6729 Remote Similarity NPC148391
0.6729 Remote Similarity NPC2905
0.6727 Remote Similarity NPC476436
0.6725 Remote Similarity NPC250476
0.6714 Remote Similarity NPC249583
0.6714 Remote Similarity NPC264176
0.6713 Remote Similarity NPC46561
0.671 Remote Similarity NPC173250
0.6702 Remote Similarity NPC279527
0.6702 Remote Similarity NPC214960
0.67 Remote Similarity NPC471825
0.6699 Remote Similarity NPC14339
0.6698 Remote Similarity NPC25961
0.6697 Remote Similarity NPC478078
0.6697 Remote Similarity NPC118189
0.6684 Remote Similarity NPC29285
0.6683 Remote Similarity NPC22476
0.6682 Remote Similarity NPC288987
0.6682 Remote Similarity NPC114468
0.6681 Remote Similarity NPC203373
0.6667 Remote Similarity NPC26589
0.6667 Remote Similarity NPC471762
0.6667 Remote Similarity NPC473444
0.6667 Remote Similarity NPC231382
0.6651 Remote Similarity NPC298449
0.6651 Remote Similarity NPC176113
0.6651 Remote Similarity NPC477160
0.6651 Remote Similarity NPC323969
0.665 Remote Similarity NPC204970
0.665 Remote Similarity NPC83511
0.6649 Remote Similarity NPC73280
0.6649 Remote Similarity NPC24954
0.6636 Remote Similarity NPC159815
0.6636 Remote Similarity NPC247803
0.6636 Remote Similarity NPC472098
0.6634 Remote Similarity NPC174629
0.6622 Remote Similarity NPC13249
0.6621 Remote Similarity NPC76478
0.662 Remote Similarity NPC474366
0.6617 Remote Similarity NPC473815
0.6616 Remote Similarity NPC472163
0.6612 Remote Similarity NPC286692
0.661 Remote Similarity NPC173295
0.6604 Remote Similarity NPC90185
0.66 Remote Similarity NPC322621
0.6593 Remote Similarity NPC160113
0.6593 Remote Similarity NPC476220
0.6591 Remote Similarity NPC148124
0.6589 Remote Similarity NPC187501
0.6588 Remote Similarity NPC300156
0.6582 Remote Similarity NPC129624
0.6578 Remote Similarity NPC476429
0.6575 Remote Similarity NPC150239
0.6571 Remote Similarity NPC317572
0.6566 Remote Similarity NPC166169
0.6564 Remote Similarity NPC154922
0.6564 Remote Similarity NPC177261
0.6562 Remote Similarity NPC70172
0.6561 Remote Similarity NPC314633
0.6558 Remote Similarity NPC470481
0.6558 Remote Similarity NPC470482
0.6553 Remote Similarity NPC170333
0.6552 Remote Similarity NPC474059
0.6552 Remote Similarity NPC208890
0.6549 Remote Similarity NPC329631
0.6547 Remote Similarity NPC257851
0.6545 Remote Similarity NPC99724
0.6545 Remote Similarity NPC7560
0.6544 Remote Similarity NPC234772
0.6542 Remote Similarity NPC470020
0.654 Remote Similarity NPC120513
0.6533 Remote Similarity NPC28368

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC45389 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
0.7744 Intermediate Similarity NPD6321 Discontinued
0.75 Intermediate Similarity NPD4981 Phase 2
0.7448 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7446 Intermediate Similarity NPD5186 Approved
0.7446 Intermediate Similarity NPD5183 Approved
0.7374 Intermediate Similarity NPD1880 Phase 3
0.7363 Intermediate Similarity NPD4465 Phase 2
0.7363 Intermediate Similarity NPD4467 Phase 2
0.735 Intermediate Similarity NPD7626 Approved
0.735 Intermediate Similarity NPD7627 Approved
0.7295 Intermediate Similarity NPD5293 Phase 2
0.7287 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD6654 Clinical (unspecified phase)
0.7249 Intermediate Similarity NPD3050 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7186 Phase 3
0.7158 Intermediate Similarity NPD5521 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD3507 Phase 2
0.7143 Intermediate Similarity NPD7064 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6533 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5900 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD6021 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD6457 Approved
0.7094 Intermediate Similarity NPD956 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD3899 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5071 Phase 2
0.7059 Intermediate Similarity NPD6478 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3783 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD5860 Discontinued
0.7015 Intermediate Similarity NPD5515 Phase 2
0.6974 Remote Similarity NPD4078 Clinical (unspecified phase)
0.697 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6954 Remote Similarity NPD4515 Suspended
0.6946 Remote Similarity NPD6874 Approved
0.6941 Remote Similarity NPD4952 Phase 3
0.6934 Remote Similarity NPD5025 Approved
0.6923 Remote Similarity NPD2906 Approved
0.6923 Remote Similarity NPD2907 Approved
0.692 Remote Similarity NPD7560 Approved
0.6905 Remote Similarity NPD1945 Phase 1
0.6889 Remote Similarity NPD6790 Phase 1
0.6881 Remote Similarity NPD3964 Approved
0.6864 Remote Similarity NPD6199 Discontinued
0.6863 Remote Similarity NPD3297 Approved
0.6847 Remote Similarity NPD4373 Phase 2
0.6842 Remote Similarity NPD2681 Approved
0.6842 Remote Similarity NPD2680 Approved
0.6842 Remote Similarity NPD4082 Approved
0.683 Remote Similarity NPD4846 Phase 2
0.6823 Remote Similarity NPD2248 Approved
0.6823 Remote Similarity NPD2246 Approved
0.6822 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6821 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6818 Remote Similarity NPD743 Approved
0.6818 Remote Similarity NPD2670 Approved
0.6811 Remote Similarity NPD1337 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7858 Clinical (unspecified phase)
0.6804 Remote Similarity NPD1212 Approved
0.6796 Remote Similarity NPD160 Clinical (unspecified phase)
0.6789 Remote Similarity NPD710 Clinical (unspecified phase)
0.6789 Remote Similarity NPD3912 Discontinued
0.6776 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6755 Remote Similarity NPD5616 Clinical (unspecified phase)
0.675 Remote Similarity NPD5620 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7255 Clinical (unspecified phase)
0.6745 Remote Similarity NPD4493 Discontinued
0.6745 Remote Similarity NPD683 Approved
0.6729 Remote Similarity NPD3257 Approved
0.6728 Remote Similarity NPD3437 Discontinued
0.6714 Remote Similarity NPD7225 Discontinued
0.6701 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6699 Remote Similarity NPD4456 Clinical (unspecified phase)
0.6699 Remote Similarity NPD2778 Approved
0.6699 Remote Similarity NPD3298 Approved
0.6685 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6682 Remote Similarity NPD8027 Approved
0.6682 Remote Similarity NPD6247 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4496 Clinical (unspecified phase)
0.6652 Remote Similarity NPD7031 Phase 1
0.6651 Remote Similarity NPD7559 Phase 2
0.6651 Remote Similarity NPD3802 Phase 3
0.6651 Remote Similarity NPD3874 Discontinued
0.6649 Remote Similarity NPD5997 Discontinued
0.6649 Remote Similarity NPD1670 Discontinued
0.6648 Remote Similarity NPD3142 Approved
0.6648 Remote Similarity NPD3140 Approved
0.6636 Remote Similarity NPD4492 Approved
0.6636 Remote Similarity NPD4494 Approved
0.6635 Remote Similarity NPD4596 Phase 1
0.6635 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7043 Discontinued
0.6634 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6633 Remote Similarity NPD3793 Phase 3
0.6633 Remote Similarity NPD5600 Discontinued
0.662 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6619 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6617 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6615 Remote Similarity NPD3446 Phase 1
0.6614 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6613 Remote Similarity NPD814 Clinical (unspecified phase)
0.6606 Remote Similarity NPD2899 Discontinued
0.6606 Remote Similarity NPD3258 Approved
0.6606 Remote Similarity NPD5496 Approved
0.6604 Remote Similarity NPD3472 Approved
0.6604 Remote Similarity NPD4154 Approved
0.6604 Remote Similarity NPD4022 Approved
0.6603 Remote Similarity NPD2779 Approved
0.6602 Remote Similarity NPD5564 Approved
0.6596 Remote Similarity NPD2366 Approved
0.6591 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6584 Remote Similarity NPD6040 Clinical (unspecified phase)
0.6578 Remote Similarity NPD6357 Discontinued
0.6576 Remote Similarity NPD1802 Approved
0.6576 Remote Similarity NPD1801 Approved
0.6575 Remote Similarity NPD5433 Clinical (unspecified phase)
0.6571 Remote Similarity NPD5513 Phase 2
0.6567 Remote Similarity NPD4369 Phase 2
0.6564 Remote Similarity NPD7853 Phase 2
0.6561 Remote Similarity NPD6279 Approved
0.6561 Remote Similarity NPD6280 Approved
0.6557 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6238 Discontinued
0.6549 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6548 Remote Similarity NPD3965 Phase 1
0.6547 Remote Similarity NPD4328 Approved
0.6542 Remote Similarity NPD3372 Discontinued
0.6542 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6542 Remote Similarity NPD3893 Discontinued
0.654 Remote Similarity NPD5102 Clinical (unspecified phase)
0.654 Remote Similarity NPD3947 Discontinued
0.6532 Remote Similarity NPD3925 Approved
0.6526 Remote Similarity NPD7467 Discontinued
0.652 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6515 Remote Similarity NPD3239 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6719 Approved
0.651 Remote Similarity NPD955 Approved
0.651 Remote Similarity NPD1307 Phase 2
0.651 Remote Similarity NPD1309 Phase 2
0.6508 Remote Similarity NPD2672 Discontinued
0.6507 Remote Similarity NPD4491 Clinical (unspecified phase)
0.65 Remote Similarity NPD692 Approved
0.65 Remote Similarity NPD7180 Phase 3
0.6498 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6496 Remote Similarity NPD8102 Discontinued
0.6495 Remote Similarity NPD2249 Approved
0.6495 Remote Similarity NPD2247 Approved
0.6494 Remote Similarity NPD6716 Phase 1
0.6493 Remote Similarity NPD7597 Clinical (unspecified phase)
0.649 Remote Similarity NPD1198 Approved
0.6489 Remote Similarity NPD5479 Discontinued
0.6489 Remote Similarity NPD1659 Phase 1
0.6489 Remote Similarity NPD5022 Discontinued
0.6485 Remote Similarity NPD3154 Approved
0.6485 Remote Similarity NPD3153 Approved
0.6484 Remote Similarity NPD4429 Discontinued
0.6482 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6481 Remote Similarity NPD3888 Discontinued
0.6476 Remote Similarity NPD3416 Discontinued
0.6471 Remote Similarity NPD4259 Approved
0.6471 Remote Similarity NPD4258 Approved
0.6462 Remote Similarity NPD5847 Phase 1
0.6462 Remote Similarity NPD6250 Discontinued
0.646 Remote Similarity NPD3442 Approved
0.646 Remote Similarity NPD6962 Phase 2
0.646 Remote Similarity NPD3441 Approved
0.6456 Remote Similarity NPD4539 Phase 1
0.6453 Remote Similarity NPD6891 Phase 2
0.6452 Remote Similarity NPD7528 Approved
0.6452 Remote Similarity NPD4455 Discontinued
0.6452 Remote Similarity NPD3945 Discontinued
0.645 Remote Similarity NPD4204 Approved
0.645 Remote Similarity NPD4203 Approved
0.6449 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6445 Remote Similarity NPD7316 Discontinued
0.6443 Remote Similarity NPD1559 Discontinued
0.6435 Remote Similarity NPD5416 Discontinued
0.6432 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6432 Remote Similarity NPD7607 Clinical (unspecified phase)
0.6429 Remote Similarity NPD1200 Approved
0.6429 Remote Similarity NPD2339 Phase 3
0.6429 Remote Similarity NPD6805 Discontinued
0.6429 Remote Similarity NPD1199 Approved
0.6425 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6422 Remote Similarity NPD4679 Discontinued
0.6422 Remote Similarity NPD7291 Discontinued
0.6421 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6418 Remote Similarity NPD7190 Clinical (unspecified phase)
0.6416 Remote Similarity NPD5801 Clinical (unspecified phase)
0.6414 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6411 Remote Similarity NPD5194 Approved
0.6411 Remote Similarity NPD5196 Approved
0.6411 Remote Similarity NPD5197 Approved
0.641 Remote Similarity NPD5262 Discontinued
0.6409 Remote Similarity NPD5632 Approved
0.6409 Remote Similarity NPD3170 Approved
0.6402 Remote Similarity NPD3229 Phase 2
0.64 Remote Similarity NPD3259 Approved
0.6398 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6391 Remote Similarity NPD8157 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   442913
ChEMBL   CHEMBL509839
ZINC  

Physicochemical Properties

Molecular Weight:  199.06
ALogP:  -0.3024
MLogP:  2.45
XLogP:  2.479
# Rotatable Bonds:  1
Polar Surface Area:  33.45
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  15

Download Data

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Biological Activities  
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