Natural Product: NPC23453

Natural Product ID:  NPC23453
Common Name:   Dihydrokawain
IUPAC Name:   (2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
Synonyms:   (+)-Dihydrokavain; Dihydrokawain
Molecular Formula:   C14H16O3
Standard InCHIKey:  VOOYTQRREPYRIW-LBPRGKRZSA-N
Standard InCHI:  InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-/m0/s1
Canonical SMILES:  COC1=CC(=O)O[C@H](C1)CCc1ccccc1
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
NPO26193 Piper methysticum Species Piperaceae Eukaryota PMID[12809361]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Inhibition = 50 % PubChem BioAssay data set
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Inhibition = 46.7 % PubChem BioAssay data set
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Inhibition = 61.2 % PubChem BioAssay data set
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Inhibition = 58.9 % PubChem BioAssay data set
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Inhibition = 53.1 % 22524636
NPT364 Organism Lactuca sativa Lactuca sativa Inhibition = 74.3 % PubChem BioAssay data set
NPT364 Organism Lactuca sativa Lactuca sativa Inhibition = 25.9 % 10.1039/C4MD00124A
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli Inhibition = 56.6 % 18031016
NPT2 Others Unspecified IC50 = 60 ug/ml 23031590
NPT364 Organism Lactuca sativa Lactuca sativa Inhibition = 15.6 % 19908867
NPT2567 Organism Trichoderma viride Hypocrea rufa GI = 0 % 22037378
NPT2567 Organism Trichoderma viride Hypocrea rufa GI = 16.2 % 22037378
NPT637 Organism Fusarium oxysporum Fusarium oxysporum GI = 10.1 % 22037378
NPT637 Organism Fusarium oxysporum Fusarium oxysporum GI = 21.7 % 22037378
NPT2600 Organism Fusarium solani Fusarium solani GI = 0 % 22037378
NPT2600 Organism Fusarium solani Fusarium solani GI = 38.7 % 22037378
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI = 0 % 22037378
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI = 33.3 % 22037378

  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 NPC23453 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
0.931 High Similarity NPC169050
0.931 High Similarity NPC96625
0.931 High Similarity NPC286608
0.8736 High Similarity NPC99240
0.8687 High Similarity NPC477251
0.8652 High Similarity NPC53299
0.8646 High Similarity NPC98911
0.8646 High Similarity NPC472318
0.8636 High Similarity NPC324835
0.8636 High Similarity NPC127491
0.8636 High Similarity NPC308619
0.8587 High Similarity NPC213156
0.8587 High Similarity NPC240108
0.8571 High Similarity NPC304760
0.8571 High Similarity NPC234305
0.85 High Similarity NPC136962
0.85 High Similarity NPC475203
0.85 High Similarity NPC472316
0.85 High Similarity NPC472315
0.85 High Similarity NPC474376
0.8485 Intermediate Similarity NPC85977
0.8444 Intermediate Similarity NPC475710
0.8409 Intermediate Similarity NPC89950
0.8409 Intermediate Similarity NPC71795
0.835 Intermediate Similarity NPC474157
0.8333 Intermediate Similarity NPC40178
0.83 Intermediate Similarity NPC280616
0.83 Intermediate Similarity NPC242913
0.83 Intermediate Similarity NPC171831
0.828 Intermediate Similarity NPC173443
0.8242 Intermediate Similarity NPC58616
0.8235 Intermediate Similarity NPC47536
0.8229 Intermediate Similarity NPC5472
0.8211 Intermediate Similarity NPC77273
0.8202 Intermediate Similarity NPC303245
0.8182 Intermediate Similarity NPC167577
0.8182 Intermediate Similarity NPC78517
0.8182 Intermediate Similarity NPC170484
0.8163 Intermediate Similarity NPC154517
0.8137 Intermediate Similarity NPC37115
0.8111 Intermediate Similarity NPC103387
0.8111 Intermediate Similarity NPC323103
0.8105 Intermediate Similarity NPC119631
0.809 Intermediate Similarity NPC121800
0.8085 Intermediate Similarity NPC220893
0.8081 Intermediate Similarity NPC80115
0.8077 Intermediate Similarity NPC273837
0.8068 Intermediate Similarity NPC176228
0.8065 Intermediate Similarity NPC89377
0.8058 Intermediate Similarity NPC277788
0.8046 Intermediate Similarity NPC175393
0.8022 Intermediate Similarity NPC208183
0.8022 Intermediate Similarity NPC243289
0.8022 Intermediate Similarity NPC270507
0.802 Intermediate Similarity NPC82426
0.802 Intermediate Similarity NPC91820
0.8 Intermediate Similarity NPC185501
0.798 Intermediate Similarity NPC135951
0.7963 Intermediate Similarity NPC476476
0.7955 Intermediate Similarity NPC3672
0.7955 Intermediate Similarity NPC287790
0.7944 Intermediate Similarity NPC308744
0.7925 Intermediate Similarity NPC234376
0.7917 Intermediate Similarity NPC472319
0.7885 Intermediate Similarity NPC20485
0.7885 Intermediate Similarity NPC472314
0.7885 Intermediate Similarity NPC475465
0.7879 Intermediate Similarity NPC325499
0.7879 Intermediate Similarity NPC270654
0.7864 Intermediate Similarity NPC209632
0.785 Intermediate Similarity NPC265002
0.785 Intermediate Similarity NPC272524
0.783 Intermediate Similarity NPC323007
0.781 Intermediate Similarity NPC182549
0.781 Intermediate Similarity NPC114741
0.781 Intermediate Similarity NPC469636
0.78 Intermediate Similarity NPC78701
0.78 Intermediate Similarity NPC35448
0.7768 Intermediate Similarity NPC475827
0.7768 Intermediate Similarity NPC474223
0.7767 Intermediate Similarity NPC114594
0.7767 Intermediate Similarity NPC109637
0.7757 Intermediate Similarity NPC477250
0.7736 Intermediate Similarity NPC149545
0.7723 Intermediate Similarity NPC146351
0.7706 Intermediate Similarity NPC210092
0.7706 Intermediate Similarity NPC474685
0.77 Intermediate Similarity NPC276775
0.77 Intermediate Similarity NPC92754
0.77 Intermediate Similarity NPC249912
0.7692 Intermediate Similarity NPC473855
0.7692 Intermediate Similarity NPC127676
0.7685 Intermediate Similarity NPC128368
0.767 Intermediate Similarity NPC474365
0.767 Intermediate Similarity NPC179686
0.767 Intermediate Similarity NPC60679
0.767 Intermediate Similarity NPC301943
0.7664 Intermediate Similarity NPC477247
0.766 Intermediate Similarity NPC294134
0.7647 Intermediate Similarity NPC42211
0.7642 Intermediate Similarity NPC83628
0.7642 Intermediate Similarity NPC269023
0.7642 Intermediate Similarity NPC281604
0.7642 Intermediate Similarity NPC265407
0.7642 Intermediate Similarity NPC474364
0.7642 Intermediate Similarity NPC99846
0.7636 Intermediate Similarity NPC473507
0.7636 Intermediate Similarity NPC471616
0.7624 Intermediate Similarity NPC225060
0.7619 Intermediate Similarity NPC176971
0.7619 Intermediate Similarity NPC326447
0.7615 Intermediate Similarity NPC87069
0.7596 Intermediate Similarity NPC269644
0.7593 Intermediate Similarity NPC139946
0.7568 Intermediate Similarity NPC190298
0.7565 Intermediate Similarity NPC474254
0.7565 Intermediate Similarity NPC474159
0.7549 Intermediate Similarity NPC325497
0.7549 Intermediate Similarity NPC118343
0.7547 Intermediate Similarity NPC151530
0.7547 Intermediate Similarity NPC157473
0.7526 Intermediate Similarity NPC9822
0.7524 Intermediate Similarity NPC128730
0.7524 Intermediate Similarity NPC472919
0.7523 Intermediate Similarity NPC161611
0.75 Intermediate Similarity NPC473809
0.75 Intermediate Similarity NPC210089
0.75 Intermediate Similarity NPC304638
0.75 Intermediate Similarity NPC183700
0.75 Intermediate Similarity NPC130398
0.75 Intermediate Similarity NPC63345
0.7478 Intermediate Similarity NPC475328
0.7477 Intermediate Similarity NPC149691
0.7476 Intermediate Similarity NPC70624
0.7474 Intermediate Similarity NPC99482
0.7455 Intermediate Similarity NPC307651
0.7453 Intermediate Similarity NPC51174
0.7453 Intermediate Similarity NPC30594
0.7453 Intermediate Similarity NPC37622
0.7449 Intermediate Similarity NPC108026
0.7447 Intermediate Similarity NPC288903
0.7434 Intermediate Similarity NPC64340
0.7431 Intermediate Similarity NPC185840
0.7431 Intermediate Similarity NPC474689
0.7426 Intermediate Similarity NPC30361
0.7419 Intermediate Similarity NPC165212
0.7411 Intermediate Similarity NPC470820
0.7407 Intermediate Similarity NPC75272
0.7407 Intermediate Similarity NPC471954
0.7387 Intermediate Similarity NPC41851
0.7383 Intermediate Similarity NPC260952
0.7383 Intermediate Similarity NPC470391
0.7383 Intermediate Similarity NPC56493
0.7383 Intermediate Similarity NPC156648
0.7379 Intermediate Similarity NPC171843
0.7374 Intermediate Similarity NPC476484
0.7373 Intermediate Similarity NPC85830
0.7368 Intermediate Similarity NPC304538
0.7364 Intermediate Similarity NPC477245
0.7364 Intermediate Similarity NPC199462
0.7364 Intermediate Similarity NPC477246
0.7358 Intermediate Similarity NPC139891
0.7358 Intermediate Similarity NPC227255
0.7358 Intermediate Similarity NPC238115
0.7358 Intermediate Similarity NPC269457
0.7347 Intermediate Similarity NPC231591
0.7345 Intermediate Similarity NPC122117
0.7345 Intermediate Similarity NPC84129
0.7345 Intermediate Similarity NPC183154
0.7345 Intermediate Similarity NPC263754
0.734 Intermediate Similarity NPC121478
0.734 Intermediate Similarity NPC106313
0.734 Intermediate Similarity NPC73637
0.7339 Intermediate Similarity NPC476003
0.7339 Intermediate Similarity NPC25067
0.7339 Intermediate Similarity NPC88868
0.7339 Intermediate Similarity NPC231251
0.7315 Intermediate Similarity NPC17417
0.7315 Intermediate Similarity NPC10251
0.7315 Intermediate Similarity NPC184633
0.7315 Intermediate Similarity NPC206341
0.7308 Intermediate Similarity NPC253746
0.7308 Intermediate Similarity NPC469481
0.7304 Intermediate Similarity NPC474222
0.7304 Intermediate Similarity NPC475804
0.7304 Intermediate Similarity NPC31314
0.7304 Intermediate Similarity NPC193193
0.7297 Intermediate Similarity NPC196075
0.7297 Intermediate Similarity NPC477411
0.729 Intermediate Similarity NPC92623
0.729 Intermediate Similarity NPC119271
0.729 Intermediate Similarity NPC135464
0.7282 Intermediate Similarity NPC145052
0.7282 Intermediate Similarity NPC179411
0.7281 Intermediate Similarity NPC96705
0.7281 Intermediate Similarity NPC89324
0.7273 Intermediate Similarity NPC84288
0.7273 Intermediate Similarity NPC474314
0.7273 Intermediate Similarity NPC82899
0.7273 Intermediate Similarity NPC470825

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC23453 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
0.931 High Similarity NPD1282 Approved
0.8119 Intermediate Similarity NPD5909 Discontinued
0.8077 Intermediate Similarity NPD2067 Discontinued
0.798 Intermediate Similarity NPD5926 Approved
0.7664 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD3134 Approved
0.7549 Intermediate Similarity NPD1238 Approved
0.7547 Intermediate Similarity NPD1358 Approved
0.75 Intermediate Similarity NPD6647 Phase 2
0.7449 Intermediate Similarity NPD3672 Approved
0.7449 Intermediate Similarity NPD3673 Approved
0.7426 Intermediate Similarity NPD1989 Approved
0.7411 Intermediate Similarity NPD694 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD9697 Approved
0.7347 Intermediate Similarity NPD689 Discontinued
0.7315 Intermediate Similarity NPD2182 Approved
0.7273 Intermediate Similarity NPD969 Suspended
0.7263 Intermediate Similarity NPD3971 Phase 1
0.7228 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD5691 Approved
0.7212 Intermediate Similarity NPD7798 Approved
0.7207 Intermediate Similarity NPD5535 Approved
0.7196 Intermediate Similarity NPD5048 Discontinued
0.7143 Intermediate Similarity NPD9716 Approved
0.7143 Intermediate Similarity NPD2550 Approved
0.7143 Intermediate Similarity NPD2558 Approved
0.7143 Intermediate Similarity NPD2555 Approved
0.7143 Intermediate Similarity NPD2552 Approved
0.7143 Intermediate Similarity NPD1087 Approved
0.7143 Intermediate Similarity NPD2553 Approved
0.7143 Intermediate Similarity NPD6010 Discontinued
0.7143 Intermediate Similarity NPD2549 Approved
0.713 Intermediate Similarity NPD5706 Approved
0.713 Intermediate Similarity NPD5705 Approved
0.713 Intermediate Similarity NPD5704 Approved
0.7117 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5734 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD164 Approved
0.7097 Intermediate Similarity NPD225 Approved
0.7097 Intermediate Similarity NPD227 Approved
0.7091 Intermediate Similarity NPD5240 Approved
0.7091 Intermediate Similarity NPD5236 Approved
0.7091 Intermediate Similarity NPD5235 Approved
0.7091 Intermediate Similarity NPD5237 Approved
0.7091 Intermediate Similarity NPD5239 Approved
0.708 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD4189 Approved
0.7075 Intermediate Similarity NPD4188 Approved
0.7048 Intermediate Similarity NPD2066 Phase 3
0.7027 Intermediate Similarity NPD2201 Approved
0.7021 Intermediate Similarity NPD9490 Approved
0.7018 Intermediate Similarity NPD4198 Discontinued
0.7009 Intermediate Similarity NPD5738 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD800 Approved
0.6991 Remote Similarity NPD1241 Discontinued
0.6972 Remote Similarity NPD6685 Approved
0.6952 Remote Similarity NPD9495 Approved
0.6949 Remote Similarity NPD3496 Discontinued
0.6944 Remote Similarity NPD3048 Approved
0.6944 Remote Similarity NPD3046 Approved
0.6944 Remote Similarity NPD3047 Approved
0.6942 Remote Similarity NPD2797 Approved
0.6931 Remote Similarity NPD1090 Approved
0.6931 Remote Similarity NPD1089 Approved
0.6931 Remote Similarity NPD1086 Approved
0.693 Remote Similarity NPD2629 Approved
0.6907 Remote Similarity NPD9491 Approved
0.6903 Remote Similarity NPD6858 Approved
0.6903 Remote Similarity NPD7094 Approved
0.6893 Remote Similarity NPD1202 Approved
0.6891 Remote Similarity NPD422 Phase 1
0.6875 Remote Similarity NPD226 Approved
0.6869 Remote Similarity NPD9257 Approved
0.6869 Remote Similarity NPD9259 Approved
0.6864 Remote Similarity NPD4626 Approved
0.6847 Remote Similarity NPD2684 Approved
0.6833 Remote Similarity NPD6637 Approved
0.6832 Remote Similarity NPD5346 Phase 2
0.6832 Remote Similarity NPD5347 Phase 2
0.6827 Remote Similarity NPD1693 Approved
0.6818 Remote Similarity NPD3524 Approved
0.6818 Remote Similarity NPD2559 Approved
0.6818 Remote Similarity NPD2551 Approved
0.6818 Remote Similarity NPD3526 Approved
0.6803 Remote Similarity NPD3267 Approved
0.6803 Remote Similarity NPD3266 Approved
0.68 Remote Similarity NPD4793 Discontinued
0.6796 Remote Similarity NPD1088 Approved
0.6789 Remote Similarity NPD1237 Approved
0.678 Remote Similarity NPD5585 Approved
0.6774 Remote Similarity NPD6832 Phase 2
0.6757 Remote Similarity NPD290 Approved
0.6752 Remote Similarity NPD2347 Approved
0.675 Remote Similarity NPD6287 Discontinued
0.6748 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6733 Remote Similarity NPD531 Approved
0.6731 Remote Similarity NPD1066 Discontinued
0.6731 Remote Similarity NPD1563 Approved
0.6723 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6699 Remote Similarity NPD1239 Approved
0.6697 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6697 Remote Similarity NPD5765 Approved
0.6697 Remote Similarity NPD1930 Approved
0.6697 Remote Similarity NPD1929 Approved
0.6696 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6695 Remote Similarity NPD1894 Discontinued
0.6695 Remote Similarity NPD9545 Approved
0.6667 Remote Similarity NPD812 Approved
0.6667 Remote Similarity NPD6049 Phase 2
0.6667 Remote Similarity NPD9493 Approved
0.6667 Remote Similarity NPD3847 Discontinued
0.6667 Remote Similarity NPD811 Approved
0.6667 Remote Similarity NPD3268 Approved
0.6667 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6667 Remote Similarity NPD810 Approved
0.6641 Remote Similarity NPD5124 Phase 1
0.6641 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6637 Remote Similarity NPD5451 Approved
0.6637 Remote Similarity NPD1756 Approved
0.6637 Remote Similarity NPD1752 Approved
0.6632 Remote Similarity NPD9294 Approved
0.6612 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6609 Remote Similarity NPD7843 Approved
0.6604 Remote Similarity NPD2860 Approved
0.6604 Remote Similarity NPD2859 Approved
0.6602 Remote Similarity NPD9258 Approved
0.6602 Remote Similarity NPD9256 Approved
0.6587 Remote Similarity NPD5454 Clinical (unspecified phase)
0.6585 Remote Similarity NPD5667 Approved
0.6585 Remote Similarity NPD2199 Approved
0.6585 Remote Similarity NPD2198 Approved
0.6583 Remote Similarity NPD1778 Approved
0.6583 Remote Similarity NPD17 Approved
0.6557 Remote Similarity NPD1877 Discontinued
0.6552 Remote Similarity NPD2650 Approved
0.6552 Remote Similarity NPD2652 Approved
0.6542 Remote Similarity NPD1564 Approved
0.6542 Remote Similarity NPD1566 Phase 3
0.6542 Remote Similarity NPD1565 Approved
0.6535 Remote Similarity NPD6798 Discontinued
0.6525 Remote Similarity NPD4576 Approved
0.6525 Remote Similarity NPD4574 Approved
0.6522 Remote Similarity NPD1139 Approved
0.6522 Remote Similarity NPD1137 Approved
0.6522 Remote Similarity NPD6912 Phase 3
0.6522 Remote Similarity NPD4572 Approved
0.6522 Remote Similarity NPD4573 Approved
0.6522 Remote Similarity NPD4571 Approved
0.6518 Remote Similarity NPD968 Approved
0.6509 Remote Similarity NPD2933 Approved
0.6509 Remote Similarity NPD688 Clinical (unspecified phase)
0.6509 Remote Similarity NPD2934 Approved
0.6508 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6504 Remote Similarity NPD4359 Approved
0.6491 Remote Similarity NPD4233 Approved
0.6491 Remote Similarity NPD3646 Clinical (unspecified phase)
0.6491 Remote Similarity NPD4234 Approved
0.6489 Remote Similarity NPD7033 Discontinued
0.6484 Remote Similarity NPD6233 Phase 2
0.648 Remote Similarity NPD1019 Discontinued
0.6475 Remote Similarity NPD1281 Approved
0.6475 Remote Similarity NPD4480 Approved
0.6475 Remote Similarity NPD1611 Approved
0.6466 Remote Similarity NPD2497 Approved
0.6466 Remote Similarity NPD1138 Approved
0.6466 Remote Similarity NPD2496 Approved
0.6466 Remote Similarity NPD821 Approved
0.6466 Remote Similarity NPD2607 Approved
0.6457 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6457 Remote Similarity NPD7008 Discontinued
0.6455 Remote Similarity NPD1932 Approved
0.6452 Remote Similarity NPD3225 Approved
0.6446 Remote Similarity NPD5126 Approved
0.6446 Remote Similarity NPD5125 Phase 3
0.6446 Remote Similarity NPD5306 Approved
0.6446 Remote Similarity NPD5305 Approved
0.6441 Remote Similarity NPD2557 Approved
0.6441 Remote Similarity NPD7157 Approved
0.6434 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6434 Remote Similarity NPD4140 Approved
0.6434 Remote Similarity NPD4307 Phase 2
0.6429 Remote Similarity NPD1507 Clinical (unspecified phase)
0.6423 Remote Similarity NPD9717 Approved
0.6423 Remote Similarity NPD3972 Approved
0.6423 Remote Similarity NPD1608 Approved
0.6422 Remote Similarity NPD3020 Approved
0.6418 Remote Similarity NPD1652 Phase 2
0.6417 Remote Similarity NPD7741 Discontinued
0.6415 Remote Similarity NPD720 Approved
0.6415 Remote Similarity NPD845 Approved
0.6415 Remote Similarity NPD719 Approved
0.6412 Remote Similarity NPD2569 Approved
0.6412 Remote Similarity NPD2567 Approved
0.641 Remote Similarity NPD5283 Phase 1
0.6406 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6406 Remote Similarity NPD1296 Phase 2
0.6406 Remote Similarity NPD6859 Clinical (unspecified phase)
0.64 Remote Similarity NPD6362 Approved
0.6396 Remote Similarity NPD9261 Approved
0.6396 Remote Similarity NPD5700 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10220256
ChEMBL   CHEMBL569329
ZINC  

Physicochemical Properties

Molecular Weight:  232.11
ALogP:  -0.249
MLogP:  2.67
XLogP:  4.667
# Rotatable Bonds:  5
Polar Surface Area:  35.53
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  17

Download Data

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Biological Activities  
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