Natural Product: NPC66158

Natural Product ID:  NPC66158
Common Name:   (3E)-3-(Chloromethylidene)-1-Benzoxepine-7-Carboxylic Acid
IUPAC Name:   (3E)-3-(chloromethylidene)-1-benzoxepine-7-carboxylic acid
Synonyms:  
Molecular Formula:   C12H9ClO3
Standard InCHIKey:  WMKQQACRJZCVTG-SOFGYWHQSA-N
Standard InCHI:  InChI=1S/C12H9ClO3/c13-6-8-1-2-9-5-10(12(14)15)3-4-11(9)16-7-8/h1-6H,7H2,(H,14,15)/b8-6+
Canonical SMILES:  Cl/C=C1/COc2c(C=C1)cc(cc2)C(=O)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
NPO23728 Favolaschia tonkinensis Species Favolaschiaceae Eukaryota PMID[20329738]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 11.66 ug/ml 15679329
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 50 ug/ml 22686608
NPT83 Cell Line MCF7 Homo sapiens IC50 > 50 ug/ml 21978950
NPT20 Organism Candida albicans Candida albicans IC50 > 50 ug/ml 22386564
NPT91 Cell Line KB Homo sapiens IC50 = 0.78 ug/ml 7683725
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 > 10 ug/ml 3598594

  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 NPC66158 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
0.9 High Similarity NPC2401
0.8976 High Similarity NPC69403
0.8976 High Similarity NPC291189
0.8864 High Similarity NPC109778
0.8837 High Similarity NPC221798
0.8769 High Similarity NPC165556
0.8722 High Similarity NPC86774
0.8722 High Similarity NPC327457
0.8702 High Similarity NPC475236
0.8692 High Similarity NPC184219
0.8661 High Similarity NPC61779
0.8636 High Similarity NPC121104
0.8538 High Similarity NPC67300
0.8504 High Similarity NPC142042
0.8496 Intermediate Similarity NPC37512
0.844 Intermediate Similarity NPC184053
0.8438 Intermediate Similarity NPC27633
0.8438 Intermediate Similarity NPC94298
0.8382 Intermediate Similarity NPC104854
0.837 Intermediate Similarity NPC939
0.8346 Intermediate Similarity NPC220540
0.8298 Intermediate Similarity NPC473988
0.8296 Intermediate Similarity NPC2596
0.8296 Intermediate Similarity NPC473744
0.8286 Intermediate Similarity NPC160747
0.8281 Intermediate Similarity NPC131192
0.8235 Intermediate Similarity NPC66246
0.8235 Intermediate Similarity NPC170546
0.8195 Intermediate Similarity NPC11799
0.8195 Intermediate Similarity NPC141252
0.8188 Intermediate Similarity NPC302844
0.8182 Intermediate Similarity NPC307990
0.8182 Intermediate Similarity NPC16455
0.8175 Intermediate Similarity NPC183348
0.8175 Intermediate Similarity NPC282230
0.8175 Intermediate Similarity NPC42292
0.8175 Intermediate Similarity NPC307732
0.8138 Intermediate Similarity NPC113397
0.8116 Intermediate Similarity NPC473777
0.8116 Intermediate Similarity NPC470977
0.8116 Intermediate Similarity NPC15083
0.8116 Intermediate Similarity NPC470976
0.8116 Intermediate Similarity NPC196979
0.8112 Intermediate Similarity NPC137009
0.8102 Intermediate Similarity NPC473019
0.8099 Intermediate Similarity NPC332594
0.8095 Intermediate Similarity NPC66991
0.8085 Intermediate Similarity NPC60667
0.8085 Intermediate Similarity NPC151113
0.8085 Intermediate Similarity NPC163029
0.8074 Intermediate Similarity NPC470858
0.8074 Intermediate Similarity NPC49938
0.8058 Intermediate Similarity NPC470859
0.8054 Intermediate Similarity NPC140133
0.8029 Intermediate Similarity NPC293453
0.8028 Intermediate Similarity NPC156910
0.8027 Intermediate Similarity NPC286038
0.8015 Intermediate Similarity NPC110211
0.8015 Intermediate Similarity NPC204579
0.8015 Intermediate Similarity NPC273282
0.8015 Intermediate Similarity NPC474890
0.8015 Intermediate Similarity NPC161943
0.8014 Intermediate Similarity NPC61499
0.8014 Intermediate Similarity NPC164136
0.8014 Intermediate Similarity NPC125920
0.8014 Intermediate Similarity NPC213900
0.8 Intermediate Similarity NPC3188
0.8 Intermediate Similarity NPC89630
0.8 Intermediate Similarity NPC470860
0.7986 Intermediate Similarity NPC23257
0.7986 Intermediate Similarity NPC37206
0.7986 Intermediate Similarity NPC254994
0.7986 Intermediate Similarity NPC473076
0.7985 Intermediate Similarity NPC311219
0.7984 Intermediate Similarity NPC252004
0.7972 Intermediate Similarity NPC476480
0.7972 Intermediate Similarity NPC84585
0.7972 Intermediate Similarity NPC253616
0.7972 Intermediate Similarity NPC62735
0.7971 Intermediate Similarity NPC78662
0.7971 Intermediate Similarity NPC8005
0.7971 Intermediate Similarity NPC194979
0.7959 Intermediate Similarity NPC469953
0.7956 Intermediate Similarity NPC22783
0.7943 Intermediate Similarity NPC93756
0.7943 Intermediate Similarity NPC108113
0.7943 Intermediate Similarity NPC27643
0.7931 Intermediate Similarity NPC471587
0.7931 Intermediate Similarity NPC470856
0.7929 Intermediate Similarity NPC175159
0.7917 Intermediate Similarity NPC124269
0.7917 Intermediate Similarity NPC147686
0.7917 Intermediate Similarity NPC329225
0.7917 Intermediate Similarity NPC36414
0.7917 Intermediate Similarity NPC472460
0.7914 Intermediate Similarity NPC245395
0.7914 Intermediate Similarity NPC285776
0.7902 Intermediate Similarity NPC240593
0.7902 Intermediate Similarity NPC222633
0.7902 Intermediate Similarity NPC268081
0.7902 Intermediate Similarity NPC187826
0.7902 Intermediate Similarity NPC174999
0.7899 Intermediate Similarity NPC186098
0.7899 Intermediate Similarity NPC125887
0.7899 Intermediate Similarity NPC80694
0.7891 Intermediate Similarity NPC164980
0.7891 Intermediate Similarity NPC257097
0.7891 Intermediate Similarity NPC143896
0.7891 Intermediate Similarity NPC91560
0.7891 Intermediate Similarity NPC175504
0.7891 Intermediate Similarity NPC150408
0.7891 Intermediate Similarity NPC310130
0.7891 Intermediate Similarity NPC39329
0.7891 Intermediate Similarity NPC149026
0.7891 Intermediate Similarity NPC75049
0.7891 Intermediate Similarity NPC169591
0.7891 Intermediate Similarity NPC221432
0.7891 Intermediate Similarity NPC68104
0.7887 Intermediate Similarity NPC144027
0.7887 Intermediate Similarity NPC236974
0.7887 Intermediate Similarity NPC470844
0.7883 Intermediate Similarity NPC95309
0.7877 Intermediate Similarity NPC103362
0.7877 Intermediate Similarity NPC312391
0.7877 Intermediate Similarity NPC171870
0.7877 Intermediate Similarity NPC213322
0.7877 Intermediate Similarity NPC4743
0.7877 Intermediate Similarity NPC229916
0.7877 Intermediate Similarity NPC324386
0.7877 Intermediate Similarity NPC110969
0.7872 Intermediate Similarity NPC287533
0.7872 Intermediate Similarity NPC229646
0.7872 Intermediate Similarity NPC203817
0.7868 Intermediate Similarity NPC6888
0.7863 Intermediate Similarity NPC83718
0.7862 Intermediate Similarity NPC139554
0.7862 Intermediate Similarity NPC18260
0.7862 Intermediate Similarity NPC183642
0.7862 Intermediate Similarity NPC471697
0.7862 Intermediate Similarity NPC310370
0.7862 Intermediate Similarity NPC261234
0.7862 Intermediate Similarity NPC78913
0.7857 Intermediate Similarity NPC472517
0.7847 Intermediate Similarity NPC221046
0.7847 Intermediate Similarity NPC13768
0.7847 Intermediate Similarity NPC32441
0.7847 Intermediate Similarity NPC12296
0.7847 Intermediate Similarity NPC287246
0.7847 Intermediate Similarity NPC290291
0.7847 Intermediate Similarity NPC295261
0.7847 Intermediate Similarity NPC188879
0.7847 Intermediate Similarity NPC243083
0.7847 Intermediate Similarity NPC296490
0.7847 Intermediate Similarity NPC275055
0.7847 Intermediate Similarity NPC79943
0.7847 Intermediate Similarity NPC107586
0.7842 Intermediate Similarity NPC60558
0.7842 Intermediate Similarity NPC230818
0.7842 Intermediate Similarity NPC238309
0.7838 Intermediate Similarity NPC473015
0.7838 Intermediate Similarity NPC473013
0.7838 Intermediate Similarity NPC209040
0.7838 Intermediate Similarity NPC236766
0.7838 Intermediate Similarity NPC197252
0.7838 Intermediate Similarity NPC474044
0.7832 Intermediate Similarity NPC9985
0.7832 Intermediate Similarity NPC239495
0.7832 Intermediate Similarity NPC291454
0.7829 Intermediate Similarity NPC199462
0.7826 Intermediate Similarity NPC293387
0.7823 Intermediate Similarity NPC324436
0.7823 Intermediate Similarity NPC36181
0.7823 Intermediate Similarity NPC32739
0.7823 Intermediate Similarity NPC194432
0.7823 Intermediate Similarity NPC148757
0.7823 Intermediate Similarity NPC40833
0.7823 Intermediate Similarity NPC64915
0.7823 Intermediate Similarity NPC37496
0.7823 Intermediate Similarity NPC161506
0.7823 Intermediate Similarity NPC166934
0.7823 Intermediate Similarity NPC226636
0.7823 Intermediate Similarity NPC227579
0.7823 Intermediate Similarity NPC166482
0.7823 Intermediate Similarity NPC162476
0.7823 Intermediate Similarity NPC76338
0.7823 Intermediate Similarity NPC328164
0.7823 Intermediate Similarity NPC223500
0.7823 Intermediate Similarity NPC78
0.7823 Intermediate Similarity NPC220998
0.7823 Intermediate Similarity NPC76372
0.7823 Intermediate Similarity NPC182852
0.7823 Intermediate Similarity NPC265040
0.7823 Intermediate Similarity NPC147145
0.7823 Intermediate Similarity NPC324134
0.7823 Intermediate Similarity NPC10937
0.7823 Intermediate Similarity NPC167624
0.7823 Intermediate Similarity NPC107572
0.7823 Intermediate Similarity NPC296917
0.7823 Intermediate Similarity NPC66515
0.7823 Intermediate Similarity NPC306829

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC66158 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
0.85 High Similarity NPD7421 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD9545 Approved
0.7985 Intermediate Similarity NPD9717 Approved
0.7931 Intermediate Similarity NPD4628 Phase 3
0.7917 Intermediate Similarity NPD1549 Phase 2
0.7881 Intermediate Similarity NPD7411 Suspended
0.7847 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7847 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD2799 Discontinued
0.781 Intermediate Similarity NPD1203 Approved
0.7801 Intermediate Similarity NPD1240 Approved
0.7786 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1551 Phase 2
0.7721 Intermediate Similarity NPD1608 Approved
0.7717 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD1510 Phase 2
0.7703 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD1607 Approved
0.7687 Intermediate Similarity NPD3750 Approved
0.7662 Intermediate Similarity NPD7819 Suspended
0.7662 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD2313 Discontinued
0.7651 Intermediate Similarity NPD6799 Approved
0.7634 Intermediate Similarity NPD1241 Discontinued
0.763 Intermediate Similarity NPD1778 Approved
0.7628 Intermediate Similarity NPD7075 Discontinued
0.7619 Intermediate Similarity NPD1243 Approved
0.76 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD6801 Discontinued
0.7594 Intermediate Similarity NPD9493 Approved
0.7571 Intermediate Similarity NPD454 Approved
0.7551 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD2796 Approved
0.7534 Intermediate Similarity NPD2935 Discontinued
0.7518 Intermediate Similarity NPD422 Phase 1
0.7518 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD2354 Approved
0.75 Intermediate Similarity NPD1019 Discontinued
0.75 Intermediate Similarity NPD920 Approved
0.75 Intermediate Similarity NPD17 Approved
0.7483 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD3225 Approved
0.7481 Intermediate Similarity NPD1894 Discontinued
0.7468 Intermediate Similarity NPD6599 Discontinued
0.7466 Intermediate Similarity NPD3748 Approved
0.7452 Intermediate Similarity NPD7768 Phase 2
0.745 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD2797 Approved
0.7415 Intermediate Similarity NPD4476 Approved
0.7415 Intermediate Similarity NPD4477 Approved
0.7413 Intermediate Similarity NPD1296 Phase 2
0.7413 Intermediate Similarity NPD411 Approved
0.7403 Intermediate Similarity NPD3226 Approved
0.74 Intermediate Similarity NPD3887 Approved
0.7394 Intermediate Similarity NPD6832 Phase 2
0.7379 Intermediate Similarity NPD447 Suspended
0.7379 Intermediate Similarity NPD230 Phase 1
0.7368 Intermediate Similarity NPD2533 Approved
0.7368 Intermediate Similarity NPD2534 Approved
0.7368 Intermediate Similarity NPD2532 Approved
0.7365 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD2344 Approved
0.7365 Intermediate Similarity NPD2353 Approved
0.7355 Intermediate Similarity NPD4380 Phase 2
0.7347 Intermediate Similarity NPD7033 Discontinued
0.7347 Intermediate Similarity NPD4308 Phase 3
0.7346 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD1481 Phase 2
0.7333 Intermediate Similarity NPD7003 Approved
0.7325 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD9494 Approved
0.7319 Intermediate Similarity NPD3496 Discontinued
0.7292 Intermediate Similarity NPD6798 Discontinued
0.7292 Intermediate Similarity NPD3268 Approved
0.7292 Intermediate Similarity NPD3764 Approved
0.729 Intermediate Similarity NPD7458 Discontinued
0.7287 Intermediate Similarity NPD9697 Approved
0.7278 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD1535 Discovery
0.7248 Intermediate Similarity NPD6005 Phase 3
0.7248 Intermediate Similarity NPD6002 Phase 3
0.7248 Intermediate Similarity NPD6004 Phase 3
0.7248 Intermediate Similarity NPD2346 Discontinued
0.7248 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD4626 Approved
0.7234 Intermediate Similarity NPD1283 Approved
0.7231 Intermediate Similarity NPD3134 Approved
0.7214 Intermediate Similarity NPD3972 Approved
0.7212 Intermediate Similarity NPD5844 Phase 1
0.719 Intermediate Similarity NPD1511 Approved
0.7188 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD3749 Approved
0.7179 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD9263 Approved
0.7176 Intermediate Similarity NPD1358 Approved
0.7176 Intermediate Similarity NPD9267 Approved
0.7176 Intermediate Similarity NPD9264 Approved
0.7174 Intermediate Similarity NPD5691 Approved
0.7171 Intermediate Similarity NPD2309 Approved
0.7161 Intermediate Similarity NPD5403 Approved
0.7152 Intermediate Similarity NPD2800 Approved
0.7152 Intermediate Similarity NPD1934 Approved
0.7143 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5401 Approved
0.7143 Intermediate Similarity NPD919 Approved
0.7143 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6355 Discontinued
0.7143 Intermediate Similarity NPD5124 Phase 1
0.7143 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD5953 Discontinued
0.7124 Intermediate Similarity NPD7440 Discontinued
0.7121 Intermediate Similarity NPD9266 Approved
0.7121 Intermediate Similarity NPD74 Approved
0.7108 Intermediate Similarity NPD7286 Phase 2
0.7105 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD1548 Phase 1
0.7097 Intermediate Similarity NPD2186 Approved
0.7097 Intermediate Similarity NPD5049 Phase 3
0.7097 Intermediate Similarity NPD6273 Approved
0.7097 Intermediate Similarity NPD1512 Approved
0.7089 Intermediate Similarity NPD958 Approved
0.7078 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD4307 Phase 2
0.7075 Intermediate Similarity NPD3140 Approved
0.7075 Intermediate Similarity NPD3142 Approved
0.7063 Intermediate Similarity NPD3817 Phase 2
0.7063 Intermediate Similarity NPD3267 Approved
0.7063 Intermediate Similarity NPD1164 Approved
0.7063 Intermediate Similarity NPD3266 Approved
0.705 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7177 Discontinued
0.7027 Intermediate Similarity NPD1184 Approved
0.7027 Intermediate Similarity NPD1933 Approved
0.7021 Intermediate Similarity NPD1281 Approved
0.7021 Intermediate Similarity NPD1610 Phase 2
0.7019 Intermediate Similarity NPD3882 Suspended
0.7014 Intermediate Similarity NPD2798 Approved
0.7006 Intermediate Similarity NPD957 Approved
0.7 Intermediate Similarity NPD1465 Phase 2
0.6981 Remote Similarity NPD7615 Clinical (unspecified phase)
0.698 Remote Similarity NPD6651 Approved
0.6974 Remote Similarity NPD5958 Discontinued
0.6974 Remote Similarity NPD4534 Discontinued
0.6959 Remote Similarity NPD4060 Phase 1
0.6957 Remote Similarity NPD4288 Approved
0.6944 Remote Similarity NPD987 Approved
0.6943 Remote Similarity NPD7427 Discontinued
0.6928 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6917 Remote Similarity NPD290 Approved
0.6909 Remote Similarity NPD6232 Discontinued
0.6905 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6666 Approved
0.6903 Remote Similarity NPD6667 Approved
0.6899 Remote Similarity NPD1238 Approved
0.6894 Remote Similarity NPD2801 Approved
0.6894 Remote Similarity NPD8455 Phase 2
0.6892 Remote Similarity NPD6233 Phase 2
0.6892 Remote Similarity NPD4062 Phase 3
0.6879 Remote Similarity NPD6516 Phase 2
0.6879 Remote Similarity NPD5846 Approved
0.6875 Remote Similarity NPD1876 Approved
0.687 Remote Similarity NPD9261 Approved
0.6866 Remote Similarity NPD2684 Approved
0.6852 Remote Similarity NPD5402 Approved
0.6848 Remote Similarity NPD6959 Discontinued
0.6845 Remote Similarity NPD3818 Discontinued
0.6845 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6842 Remote Similarity NPD968 Approved
0.6831 Remote Similarity NPD3847 Discontinued
0.6824 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6812 Remote Similarity NPD9281 Approved
0.6809 Remote Similarity NPD9268 Approved
0.6806 Remote Similarity NPD4359 Approved
0.6803 Remote Similarity NPD2614 Approved
0.6803 Remote Similarity NPD1008 Clinical (unspecified phase)
0.68 Remote Similarity NPD4340 Discontinued
0.6792 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6788 Remote Similarity NPD5494 Approved
0.6788 Remote Similarity NPD5535 Approved
0.6786 Remote Similarity NPD7473 Discontinued
0.6784 Remote Similarity NPD6559 Discontinued
0.6783 Remote Similarity NPD1091 Approved
0.6781 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1729 Discontinued
0.6759 Remote Similarity NPD196 Phase 1
0.6747 Remote Similarity NPD1247 Approved
0.6736 Remote Similarity NPD9269 Phase 2
0.6735 Remote Similarity NPD2861 Phase 2
0.6733 Remote Similarity NPD2979 Phase 3
0.6732 Remote Similarity NPD6099 Approved
0.6732 Remote Similarity NPD6100 Approved
0.673 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7577 Discontinued

Structure

External Identifiers

PubChem CID   46886837
ChEMBL   CHEMBL1094584
ZINC  

Physicochemical Properties

Molecular Weight:  236.02
ALogP:  0.6522
MLogP:  2.34
XLogP:  2.683
# Rotatable Bonds:  3
Polar Surface Area:  46.53
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

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Biological Activities  
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