Natural Product: NPC188895

Natural Product ID:  NPC188895
Common Name:   Methyl 4-Formylbenzoate
IUPAC Name:   methyl 4-formylbenzoate
Synonyms:  
Molecular Formula:   C9H8O3
Standard InCHIKey:  FEIOASZZURHTHB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
Canonical SMILES:  COC(=O)c1ccc(cc1)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
NPO5895 Hibiscus taiwanensis Species Malvaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 8912.5 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 398.1 nM PubChem BioAssay data set
NPT106 Individual Protein Peroxisome proliferator-activated receptor delta Homo sapiens Potency 1.4 nM PubChem BioAssay data set
NPT249 Individual Protein Glucocorticoid receptor Homo sapiens Potency 7943.3 nM PubChem BioAssay data set
NPT198 Individual Protein Vitamin D receptor Homo sapiens Potency 891.3 nM PubChem BioAssay data set
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 31622.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 68659.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 27559.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61192.7 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24361.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2733.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 64816.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 57767.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 28952.5 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 NPC188895 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
0.9684 High Similarity NPC70624
0.9579 High Similarity NPC203925
0.9368 High Similarity NPC249912
0.9368 High Similarity NPC92754
0.9368 High Similarity NPC276775
0.9362 High Similarity NPC130398
0.9271 High Similarity NPC35448
0.9271 High Similarity NPC78701
0.9271 High Similarity NPC225060
0.9175 High Similarity NPC146351
0.898 High Similarity NPC118343
0.89 High Similarity NPC301943
0.89 High Similarity NPC474365
0.8889 High Similarity NPC42211
0.8788 High Similarity NPC325497
0.8776 High Similarity NPC253423
0.8641 High Similarity NPC119271
0.8632 High Similarity NPC173443
0.8627 High Similarity NPC31786
0.86 High Similarity NPC217621
0.8558 High Similarity NPC56493
0.8544 High Similarity NPC269457
0.8529 High Similarity NPC89886
0.8529 High Similarity NPC60679
0.8511 High Similarity NPC318107
0.8505 High Similarity NPC128368
0.8491 Intermediate Similarity NPC167504
0.8485 Intermediate Similarity NPC61944
0.8476 Intermediate Similarity NPC10251
0.8476 Intermediate Similarity NPC83628
0.8476 Intermediate Similarity NPC469636
0.8476 Intermediate Similarity NPC17417
0.8476 Intermediate Similarity NPC474364
0.8476 Intermediate Similarity NPC265407
0.8431 Intermediate Similarity NPC304873
0.8431 Intermediate Similarity NPC25458
0.8421 Intermediate Similarity NPC89377
0.8396 Intermediate Similarity NPC174099
0.8396 Intermediate Similarity NPC214067
0.8396 Intermediate Similarity NPC196246
0.8396 Intermediate Similarity NPC93084
0.8396 Intermediate Similarity NPC251854
0.8365 Intermediate Similarity NPC209632
0.8333 Intermediate Similarity NPC473325
0.8318 Intermediate Similarity NPC474157
0.8318 Intermediate Similarity NPC210089
0.8318 Intermediate Similarity NPC1082
0.8318 Intermediate Similarity NPC476003
0.8318 Intermediate Similarity NPC260818
0.8318 Intermediate Similarity NPC305912
0.8302 Intermediate Similarity NPC85493
0.8286 Intermediate Similarity NPC37622
0.8286 Intermediate Similarity NPC30594
0.8283 Intermediate Similarity NPC261181
0.8269 Intermediate Similarity NPC114594
0.8257 Intermediate Similarity NPC307651
0.8252 Intermediate Similarity NPC45613
0.8247 Intermediate Similarity NPC220893
0.8241 Intermediate Similarity NPC321852
0.8241 Intermediate Similarity NPC82899
0.8241 Intermediate Similarity NPC270699
0.8211 Intermediate Similarity NPC58616
0.819 Intermediate Similarity NPC105899
0.8165 Intermediate Similarity NPC161611
0.8165 Intermediate Similarity NPC272524
0.8163 Intermediate Similarity NPC62765
0.8137 Intermediate Similarity NPC229242
0.8131 Intermediate Similarity NPC269023
0.8131 Intermediate Similarity NPC99846
0.8108 Intermediate Similarity NPC149691
0.8091 Intermediate Similarity NPC308744
0.8091 Intermediate Similarity NPC153053
0.8091 Intermediate Similarity NPC474363
0.8085 Intermediate Similarity NPC106313
0.8081 Intermediate Similarity NPC119631
0.8073 Intermediate Similarity NPC474314
0.8073 Intermediate Similarity NPC158282
0.8073 Intermediate Similarity NPC79496
0.8073 Intermediate Similarity NPC54626
0.8039 Intermediate Similarity NPC270654
0.8037 Intermediate Similarity NPC249811
0.8021 Intermediate Similarity NPC294134
0.8018 Intermediate Similarity NPC210092
0.8018 Intermediate Similarity NPC474685
0.8018 Intermediate Similarity NPC81808
0.8 Intermediate Similarity NPC474176
0.8 Intermediate Similarity NPC288903
0.7979 Intermediate Similarity NPC100039
0.7959 Intermediate Similarity NPC304760
0.7928 Intermediate Similarity NPC53953
0.7909 Intermediate Similarity NPC57879
0.7863 Intermediate Similarity NPC472703
0.7857 Intermediate Similarity NPC474095
0.7857 Intermediate Similarity NPC306740
0.7838 Intermediate Similarity NPC13784
0.783 Intermediate Similarity NPC255676
0.7812 Intermediate Similarity NPC197581
0.7807 Intermediate Similarity NPC45104
0.7807 Intermediate Similarity NPC240664
0.7807 Intermediate Similarity NPC228318
0.7807 Intermediate Similarity NPC217423
0.7798 Intermediate Similarity NPC318327
0.7797 Intermediate Similarity NPC472704
0.7788 Intermediate Similarity NPC135730
0.7788 Intermediate Similarity NPC188907
0.7788 Intermediate Similarity NPC220540
0.7788 Intermediate Similarity NPC100353
0.7768 Intermediate Similarity NPC196075
0.7768 Intermediate Similarity NPC237366
0.7768 Intermediate Similarity NPC477411
0.7759 Intermediate Similarity NPC473243
0.7748 Intermediate Similarity NPC66208
0.7739 Intermediate Similarity NPC94298
0.7739 Intermediate Similarity NPC27633
0.7739 Intermediate Similarity NPC94637
0.7736 Intermediate Similarity NPC284477
0.7719 Intermediate Similarity NPC128825
0.7719 Intermediate Similarity NPC131192
0.7714 Intermediate Similarity NPC228435
0.7699 Intermediate Similarity NPC228936
0.7699 Intermediate Similarity NPC252004
0.7692 Intermediate Similarity NPC50872
0.7672 Intermediate Similarity NPC137710
0.7672 Intermediate Similarity NPC90522
0.7672 Intermediate Similarity NPC328459
0.7664 Intermediate Similarity NPC234305
0.7658 Intermediate Similarity NPC243355
0.7653 Intermediate Similarity NPC252067
0.7652 Intermediate Similarity NPC469574
0.7642 Intermediate Similarity NPC282895
0.7632 Intermediate Similarity NPC226093
0.7624 Intermediate Similarity NPC240108
0.7624 Intermediate Similarity NPC213156
0.7615 Intermediate Similarity NPC1065
0.7607 Intermediate Similarity NPC72977
0.7603 Intermediate Similarity NPC472706
0.7593 Intermediate Similarity NPC85977
0.7589 Intermediate Similarity NPC23332
0.7589 Intermediate Similarity NPC212415
0.7586 Intermediate Similarity NPC171023
0.7579 Intermediate Similarity NPC167577
0.7579 Intermediate Similarity NPC78517
0.7565 Intermediate Similarity NPC316062
0.7553 Intermediate Similarity NPC287790
0.7553 Intermediate Similarity NPC3672
0.7549 Intermediate Similarity NPC110704
0.7547 Intermediate Similarity NPC98911
0.7547 Intermediate Similarity NPC472318
0.7545 Intermediate Similarity NPC470391
0.7544 Intermediate Similarity NPC186933
0.7542 Intermediate Similarity NPC144547
0.7541 Intermediate Similarity NPC472707
0.7526 Intermediate Similarity NPC323103
0.7525 Intermediate Similarity NPC9822
0.7521 Intermediate Similarity NPC61779
0.7521 Intermediate Similarity NPC472708
0.7521 Intermediate Similarity NPC470765
0.75 Intermediate Similarity NPC121800
0.75 Intermediate Similarity NPC228739
0.75 Intermediate Similarity NPC160382
0.75 Intermediate Similarity NPC183648
0.7479 Intermediate Similarity NPC26285
0.7476 Intermediate Similarity NPC77273
0.7474 Intermediate Similarity NPC176228
0.7459 Intermediate Similarity NPC473220
0.7459 Intermediate Similarity NPC470753
0.7458 Intermediate Similarity NPC230951
0.7458 Intermediate Similarity NPC988
0.7458 Intermediate Similarity NPC289432
0.7458 Intermediate Similarity NPC233282
0.7453 Intermediate Similarity NPC210529
0.7453 Intermediate Similarity NPC160548
0.7453 Intermediate Similarity NPC175852
0.7451 Intermediate Similarity NPC86670
0.7451 Intermediate Similarity NPC70940
0.7451 Intermediate Similarity NPC185501
0.7451 Intermediate Similarity NPC274455
0.7449 Intermediate Similarity NPC39600
0.7449 Intermediate Similarity NPC285773
0.7449 Intermediate Similarity NPC270507
0.7447 Intermediate Similarity NPC78500
0.7438 Intermediate Similarity NPC246166
0.7438 Intermediate Similarity NPC125053
0.7438 Intermediate Similarity NPC295664
0.7431 Intermediate Similarity NPC249067
0.7426 Intermediate Similarity NPC153308
0.7426 Intermediate Similarity NPC329064
0.7423 Intermediate Similarity NPC89950
0.7423 Intermediate Similarity NPC303245
0.7423 Intermediate Similarity NPC73978
0.7417 Intermediate Similarity NPC223351
0.7417 Intermediate Similarity NPC69403
0.7417 Intermediate Similarity NPC291189
0.7414 Intermediate Similarity NPC470860
0.7411 Intermediate Similarity NPC234639
0.7407 Intermediate Similarity NPC84325
0.7396 Intermediate Similarity NPC170484
0.7395 Intermediate Similarity NPC295317
0.7391 Intermediate Similarity NPC221275
0.7391 Intermediate Similarity NPC476357

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC188895 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
0.898 High Similarity NPD1238 Approved
0.8627 High Similarity NPD164 Approved
0.8511 High Similarity NPD9259 Approved
0.8511 High Similarity NPD9257 Approved
0.8476 Intermediate Similarity NPD2182 Approved
0.8318 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.8283 Intermediate Similarity NPD1202 Approved
0.8163 Intermediate Similarity NPD9256 Approved
0.8163 Intermediate Similarity NPD9258 Approved
0.7843 Intermediate Similarity NPD9260 Approved
0.7778 Intermediate Similarity NPD6287 Discontinued
0.7739 Intermediate Similarity NPD9545 Approved
0.7719 Intermediate Similarity NPD9493 Approved
0.7677 Intermediate Similarity NPD1087 Approved
0.7596 Intermediate Similarity NPD1989 Approved
0.7589 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD9508 Approved
0.7579 Intermediate Similarity NPD9490 Approved
0.7544 Intermediate Similarity NPD5951 Approved
0.7525 Intermediate Similarity NPD800 Approved
0.7477 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD225 Approved
0.7474 Intermediate Similarity NPD227 Approved
0.7453 Intermediate Similarity NPD9495 Approved
0.7451 Intermediate Similarity NPD1086 Approved
0.7451 Intermediate Similarity NPD1089 Approved
0.7451 Intermediate Similarity NPD1090 Approved
0.7449 Intermediate Similarity NPD9491 Approved
0.7431 Intermediate Similarity NPD1237 Approved
0.7419 Intermediate Similarity NPD7008 Discontinued
0.7419 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD2066 Phase 3
0.7339 Intermediate Similarity NPD1929 Approved
0.7339 Intermediate Similarity NPD1930 Approved
0.7339 Intermediate Similarity NPD9261 Approved
0.7339 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD1088 Approved
0.7304 Intermediate Similarity NPD1241 Discontinued
0.7295 Intermediate Similarity NPD2199 Approved
0.7295 Intermediate Similarity NPD2198 Approved
0.7257 Intermediate Similarity NPD2067 Discontinued
0.7248 Intermediate Similarity NPD1932 Approved
0.7245 Intermediate Similarity NPD226 Approved
0.7238 Intermediate Similarity NPD1563 Approved
0.7236 Intermediate Similarity NPD553 Approved
0.7236 Intermediate Similarity NPD552 Approved
0.7236 Intermediate Similarity NPD9567 Approved
0.7217 Intermediate Similarity NPD5277 Phase 2
0.7212 Intermediate Similarity NPD1239 Approved
0.7177 Intermediate Similarity NPD1019 Discontinued
0.717 Intermediate Similarity NPD1693 Approved
0.7167 Intermediate Similarity NPD1362 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD1282 Approved
0.7143 Intermediate Similarity NPD3134 Approved
0.7132 Intermediate Similarity NPD3528 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD9717 Approved
0.7131 Intermediate Similarity NPD3972 Approved
0.7115 Intermediate Similarity NPD3673 Approved
0.7115 Intermediate Similarity NPD3672 Approved
0.7099 Intermediate Similarity NPD1551 Phase 2
0.708 Intermediate Similarity NPD9264 Approved
0.708 Intermediate Similarity NPD9263 Approved
0.708 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD1358 Approved
0.708 Intermediate Similarity NPD9267 Approved
0.7063 Intermediate Similarity NPD6832 Phase 2
0.7049 Intermediate Similarity NPD1281 Approved
0.7037 Intermediate Similarity NPD1566 Phase 3
0.7037 Intermediate Similarity NPD1565 Approved
0.7037 Intermediate Similarity NPD1564 Approved
0.7018 Intermediate Similarity NPD2329 Discontinued
0.7018 Intermediate Similarity NPD9266 Approved
0.7018 Intermediate Similarity NPD74 Approved
0.6984 Remote Similarity NPD9494 Approved
0.6977 Remote Similarity NPD4307 Phase 2
0.6967 Remote Similarity NPD1889 Phase 1
0.6964 Remote Similarity NPD5909 Discontinued
0.6957 Remote Similarity NPD1317 Discontinued
0.6953 Remote Similarity NPD411 Approved
0.6949 Remote Similarity NPD2629 Approved
0.6935 Remote Similarity NPD182 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6917 Remote Similarity NPD2347 Approved
0.6917 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6911 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6891 Remote Similarity NPD4198 Discontinued
0.6885 Remote Similarity NPD1778 Approved
0.688 Remote Similarity NPD1283 Approved
0.688 Remote Similarity NPD1876 Approved
0.6875 Remote Similarity NPD6647 Phase 2
0.6852 Remote Similarity NPD688 Clinical (unspecified phase)
0.6846 Remote Similarity NPD3373 Approved
0.6829 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6827 Remote Similarity NPD650 Approved
0.6825 Remote Similarity NPD1203 Approved
0.6818 Remote Similarity NPD5926 Approved
0.6804 Remote Similarity NPD9716 Approved
0.6803 Remote Similarity NPD5691 Approved
0.6794 Remote Similarity NPD230 Phase 1
0.6791 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6772 Remote Similarity NPD2798 Approved
0.6769 Remote Similarity NPD7713 Phase 3
0.6767 Remote Similarity NPD4308 Phase 3
0.6765 Remote Similarity NPD4628 Phase 3
0.6759 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6754 Remote Similarity NPD9697 Approved
0.6752 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6748 Remote Similarity NPD17 Approved
0.6748 Remote Similarity NPD1104 Approved
0.6746 Remote Similarity NPD1888 Phase 1
0.6733 Remote Similarity NPD942 Approved
0.6721 Remote Similarity NPD1894 Discontinued
0.6698 Remote Similarity NPD5346 Phase 2
0.6698 Remote Similarity NPD689 Discontinued
0.6698 Remote Similarity NPD5347 Phase 2
0.6695 Remote Similarity NPD969 Suspended
0.6692 Remote Similarity NPD2670 Approved
0.6692 Remote Similarity NPD2569 Approved
0.6692 Remote Similarity NPD3764 Approved
0.6692 Remote Similarity NPD2313 Discontinued
0.6692 Remote Similarity NPD2567 Approved
0.6667 Remote Similarity NPD9281 Approved
0.6667 Remote Similarity NPD5585 Approved
0.6667 Remote Similarity NPD4793 Discontinued
0.6667 Remote Similarity NPD1933 Approved
0.6667 Remote Similarity NPD2346 Discontinued
0.6667 Remote Similarity NPD1651 Approved
0.6667 Remote Similarity NPD9294 Approved
0.6667 Remote Similarity NPD447 Suspended
0.6642 Remote Similarity NPD1109 Approved
0.6642 Remote Similarity NPD3170 Approved
0.6642 Remote Similarity NPD7003 Approved
0.6642 Remote Similarity NPD1110 Approved
0.6641 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6617 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6615 Remote Similarity NPD6039 Approved
0.6615 Remote Similarity NPD6966 Discovery
0.6614 Remote Similarity NPD5667 Approved
0.6613 Remote Similarity NPD4626 Approved
0.6607 Remote Similarity NPD7798 Approved
0.6593 Remote Similarity NPD2935 Discontinued
0.6591 Remote Similarity NPD2979 Phase 3
0.6587 Remote Similarity NPD1608 Approved
0.6587 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6574 Remote Similarity NPD7609 Phase 3
0.6565 Remote Similarity NPD9471 Clinical (unspecified phase)
0.6547 Remote Similarity NPD7236 Approved
0.6532 Remote Similarity NPD1245 Approved
0.6529 Remote Similarity NPD1246 Approved
0.6525 Remote Similarity NPD1752 Approved
0.6525 Remote Similarity NPD5236 Approved
0.6525 Remote Similarity NPD5235 Approved
0.6525 Remote Similarity NPD5240 Approved
0.6525 Remote Similarity NPD4234 Approved
0.6525 Remote Similarity NPD5237 Approved
0.6525 Remote Similarity NPD5239 Approved
0.6525 Remote Similarity NPD1756 Approved
0.6525 Remote Similarity NPD4233 Approved
0.6522 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6519 Remote Similarity NPD2799 Discontinued
0.6514 Remote Similarity NPD7631 Approved
0.6512 Remote Similarity NPD6085 Phase 2
0.6512 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6509 Remote Similarity NPD506 Clinical (unspecified phase)
0.65 Remote Similarity NPD1279 Clinical (unspecified phase)
0.65 Remote Similarity NPD6858 Approved
0.65 Remote Similarity NPD7094 Approved
0.6496 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6493 Remote Similarity NPD1607 Approved
0.648 Remote Similarity NPD5306 Approved
0.648 Remote Similarity NPD5305 Approved
0.6471 Remote Similarity NPD2201 Approved
0.6466 Remote Similarity NPD3140 Approved
0.6466 Remote Similarity NPD3142 Approved
0.6457 Remote Similarity NPD6637 Approved
0.6449 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6434 Remote Similarity NPD3267 Approved
0.6434 Remote Similarity NPD1164 Approved
0.6434 Remote Similarity NPD2797 Approved
0.6434 Remote Similarity NPD7239 Suspended
0.6434 Remote Similarity NPD3266 Approved
0.6429 Remote Similarity NPD4136 Approved
0.6429 Remote Similarity NPD4135 Approved
0.6429 Remote Similarity NPD643 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4106 Approved
0.6429 Remote Similarity NPD3496 Discontinued
0.6429 Remote Similarity NPD3495 Discontinued
0.6423 Remote Similarity NPD694 Clinical (unspecified phase)
0.6423 Remote Similarity NPD405 Clinical (unspecified phase)
0.6408 Remote Similarity NPD9250 Approved
0.6408 Remote Similarity NPD6273 Approved
0.6406 Remote Similarity NPD5157 Phase 1
0.6406 Remote Similarity NPD5159 Phase 2
0.6406 Remote Similarity NPD4359 Approved
0.6406 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6397 Remote Similarity NPD3748 Approved

Structure

External Identifiers

PubChem CID   15294
ChEMBL   CHEMBL1607943
ZINC  

Physicochemical Properties

Molecular Weight:  164.05
ALogP:  -0.1812
MLogP:  2.12
XLogP:  2.005
# Rotatable Bonds:  4
Polar Surface Area:  43.37
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  12

Download Data

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Biological Activities  
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