Natural Product: NPC245017

Natural Product ID:  NPC245017
Common Name:   12-O-Ethyljaborosalactone 42
IUPAC Name:  
Synonyms:   12-O-Ethyljaborosalactone 42
Molecular Formula:   C30H41ClO7
Standard InCHIKey:  YAYLDRBWBKLJPA-PBSFXQMWSA-N
Standard InCHI:  InChI=1S/C30H41ClO7/c1-7-36-30-14-20-18(13-22(33)28(31)11-8-9-21(32)26(20,28)5)19-10-12-29(35,27(19,30)6)17(4)24(38-30)23-15(2)16(3)25(34)37-23/h8-9,17-20,22-24,33,35H,7,10-14H2,1-6H3/t17-,18+,19+,20+,22-,23-,24+,26+,27+,28+,29-,30+/m1/s1
Canonical SMILES:  CCO[C@]12O[C@H]([C@@H]3OC(=O)C(=C3C)C)[C@H]([C@]3([C@]2(C)[C@H]([C@H]2[C@H](C1)[C@@]1(C)C(=O)C=CC[C@@]1([C@@H](C2)O)Cl)CC3)O)C
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
NPO9595 Penicillium parvum Species Aspergillaceae Eukaryota UNPD*
NPO10136 Miconia fallax Species Melastomataceae Eukaryota UNPD*
NPO7215 Astragalus adscendens Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT364 Organism Lactuca sativa Lactuca sativa Activity = 2.7 % 17428092
NPT364 Organism Lactuca sativa Lactuca sativa Activity = -25.7 % 17428092
NPT364 Organism Lactuca sativa Lactuca sativa Activity = -65.1 % 17428092
NPT1866 Organism Avena sativa Avena sativa Activity = 3.5 % 17428092
NPT1866 Organism Avena sativa Avena sativa Activity = -11.2 % 17428092
NPT1866 Organism Avena sativa Avena sativa Activity = -32.2 % 17428092
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 3700 nM 20438092
NPT2 Others Unspecified GI50 = 3000 nM 20438092
NPT83 Cell Line MCF7 Homo sapiens GI50 = 3000 nM 20438092
NPT396 Cell Line T47D Homo sapiens GI50 = 3900 nM 20438092
NPT134 Cell Line SK-BR-3 Homo sapiens GI50 = 2500 nM 20438092

  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 NPC245017 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
0.9839 High Similarity NPC296617
0.9225 High Similarity NPC130447
0.8779 High Similarity NPC198361
0.875 High Similarity NPC287423
0.8667 High Similarity NPC473396
0.8538 High Similarity NPC311534
0.8519 High Similarity NPC473233
0.8485 Intermediate Similarity NPC471855
0.8397 Intermediate Similarity NPC473888
0.8372 Intermediate Similarity NPC27363
0.8372 Intermediate Similarity NPC473979
0.8333 Intermediate Similarity NPC231529
0.8333 Intermediate Similarity NPC471407
0.8321 Intermediate Similarity NPC156797
0.8308 Intermediate Similarity NPC241456
0.8308 Intermediate Similarity NPC32868
0.8258 Intermediate Similarity NPC473620
0.8244 Intermediate Similarity NPC469750
0.8244 Intermediate Similarity NPC250556
0.8231 Intermediate Similarity NPC204812
0.8203 Intermediate Similarity NPC475041
0.8182 Intermediate Similarity NPC117702
0.8182 Intermediate Similarity NPC179412
0.8182 Intermediate Similarity NPC471357
0.8182 Intermediate Similarity NPC146456
0.8182 Intermediate Similarity NPC471356
0.8182 Intermediate Similarity NPC329784
0.8182 Intermediate Similarity NPC469757
0.8182 Intermediate Similarity NPC240070
0.8175 Intermediate Similarity NPC471398
0.8148 Intermediate Similarity NPC298783
0.8148 Intermediate Similarity NPC104585
0.8148 Intermediate Similarity NPC225385
0.8148 Intermediate Similarity NPC157817
0.814 Intermediate Similarity NPC474585
0.814 Intermediate Similarity NPC79579
0.8134 Intermediate Similarity NPC173347
0.8134 Intermediate Similarity NPC159338
0.8134 Intermediate Similarity NPC253456
0.8134 Intermediate Similarity NPC16569
0.8125 Intermediate Similarity NPC153440
0.811 Intermediate Similarity NPC190286
0.8092 Intermediate Similarity NPC469789
0.8077 Intermediate Similarity NPC46570
0.8074 Intermediate Similarity NPC19124
0.8074 Intermediate Similarity NPC42670
0.8074 Intermediate Similarity NPC93416
0.8062 Intermediate Similarity NPC5292
0.806 Intermediate Similarity NPC251866
0.806 Intermediate Similarity NPC17896
0.806 Intermediate Similarity NPC284406
0.806 Intermediate Similarity NPC70542
0.806 Intermediate Similarity NPC89514
0.806 Intermediate Similarity NPC232785
0.806 Intermediate Similarity NPC469752
0.806 Intermediate Similarity NPC9499
0.806 Intermediate Similarity NPC6108
0.806 Intermediate Similarity NPC476966
0.806 Intermediate Similarity NPC125077
0.806 Intermediate Similarity NPC469751
0.806 Intermediate Similarity NPC219085
0.806 Intermediate Similarity NPC329986
0.806 Intermediate Similarity NPC469754
0.806 Intermediate Similarity NPC471360
0.806 Intermediate Similarity NPC276838
0.806 Intermediate Similarity NPC188234
0.806 Intermediate Similarity NPC471359
0.806 Intermediate Similarity NPC197707
0.806 Intermediate Similarity NPC471358
0.806 Intermediate Similarity NPC91
0.806 Intermediate Similarity NPC86159
0.806 Intermediate Similarity NPC471352
0.806 Intermediate Similarity NPC469755
0.806 Intermediate Similarity NPC10823
0.806 Intermediate Similarity NPC469753
0.806 Intermediate Similarity NPC180079
0.806 Intermediate Similarity NPC140092
0.806 Intermediate Similarity NPC471361
0.806 Intermediate Similarity NPC473593
0.8047 Intermediate Similarity NPC203862
0.8045 Intermediate Similarity NPC470882
0.8045 Intermediate Similarity NPC473253
0.8045 Intermediate Similarity NPC287903
0.8045 Intermediate Similarity NPC42399
0.8045 Intermediate Similarity NPC473265
0.803 Intermediate Similarity NPC8369
0.8015 Intermediate Similarity NPC28532
0.8015 Intermediate Similarity NPC107493
0.8015 Intermediate Similarity NPC269642
0.8015 Intermediate Similarity NPC477709
0.8015 Intermediate Similarity NPC142756
0.8015 Intermediate Similarity NPC476221
0.8 Intermediate Similarity NPC476961
0.8 Intermediate Similarity NPC470312
0.8 Intermediate Similarity NPC213634
0.7985 Intermediate Similarity NPC245094
0.797 Intermediate Similarity NPC47113
0.797 Intermediate Similarity NPC293112
0.797 Intermediate Similarity NPC174367
0.7969 Intermediate Similarity NPC106228
0.7969 Intermediate Similarity NPC138372
0.7955 Intermediate Similarity NPC11895
0.7953 Intermediate Similarity NPC255017
0.7953 Intermediate Similarity NPC178981
0.7941 Intermediate Similarity NPC231240
0.7941 Intermediate Similarity NPC155529
0.7939 Intermediate Similarity NPC67569
0.7939 Intermediate Similarity NPC202051
0.7926 Intermediate Similarity NPC175186
0.7926 Intermediate Similarity NPC104382
0.7926 Intermediate Similarity NPC470880
0.7923 Intermediate Similarity NPC270850
0.7923 Intermediate Similarity NPC474179
0.7923 Intermediate Similarity NPC477071
0.7923 Intermediate Similarity NPC475775
0.7923 Intermediate Similarity NPC305260
0.7923 Intermediate Similarity NPC476529
0.7923 Intermediate Similarity NPC61520
0.7923 Intermediate Similarity NPC475834
0.7923 Intermediate Similarity NPC476960
0.7907 Intermediate Similarity NPC284068
0.7907 Intermediate Similarity NPC473968
0.7899 Intermediate Similarity NPC158350
0.7895 Intermediate Similarity NPC473255
0.7895 Intermediate Similarity NPC172154
0.7895 Intermediate Similarity NPC81736
0.7895 Intermediate Similarity NPC8374
0.7891 Intermediate Similarity NPC474181
0.7891 Intermediate Similarity NPC243354
0.7891 Intermediate Similarity NPC31354
0.7891 Intermediate Similarity NPC84949
0.7891 Intermediate Similarity NPC69576
0.7891 Intermediate Similarity NPC471633
0.7883 Intermediate Similarity NPC469749
0.7883 Intermediate Similarity NPC32793
0.7883 Intermediate Similarity NPC316915
0.7883 Intermediate Similarity NPC116075
0.7883 Intermediate Similarity NPC247190
0.7883 Intermediate Similarity NPC146857
0.7879 Intermediate Similarity NPC470265
0.7879 Intermediate Similarity NPC23786
0.7879 Intermediate Similarity NPC170538
0.7868 Intermediate Similarity NPC471170
0.7863 Intermediate Similarity NPC48692
0.7863 Intermediate Similarity NPC474370
0.7863 Intermediate Similarity NPC107338
0.7863 Intermediate Similarity NPC109607
0.7863 Intermediate Similarity NPC476962
0.7857 Intermediate Similarity NPC197428
0.7857 Intermediate Similarity NPC79250
0.7857 Intermediate Similarity NPC290746
0.7846 Intermediate Similarity NPC475913
0.7846 Intermediate Similarity NPC257457
0.7846 Intermediate Similarity NPC311554
0.7846 Intermediate Similarity NPC329736
0.7846 Intermediate Similarity NPC473720
0.7846 Intermediate Similarity NPC218093
0.7842 Intermediate Similarity NPC59288
0.7836 Intermediate Similarity NPC473635
0.7829 Intermediate Similarity NPC5311
0.7829 Intermediate Similarity NPC193382
0.7829 Intermediate Similarity NPC176840
0.7829 Intermediate Similarity NPC199428
0.7829 Intermediate Similarity NPC266728
0.7829 Intermediate Similarity NPC196931
0.7829 Intermediate Similarity NPC49492
0.7829 Intermediate Similarity NPC148458
0.7829 Intermediate Similarity NPC99620
0.7829 Intermediate Similarity NPC310341
0.7826 Intermediate Similarity NPC329636
0.782 Intermediate Similarity NPC120724
0.782 Intermediate Similarity NPC41129
0.7812 Intermediate Similarity NPC25909
0.7812 Intermediate Similarity NPC250109
0.7812 Intermediate Similarity NPC194100
0.7812 Intermediate Similarity NPC157441
0.7812 Intermediate Similarity NPC962
0.7803 Intermediate Similarity NPC204731
0.7803 Intermediate Similarity NPC310511
0.7794 Intermediate Similarity NPC472770
0.7786 Intermediate Similarity NPC475520
0.7786 Intermediate Similarity NPC473203
0.7786 Intermediate Similarity NPC19028
0.7786 Intermediate Similarity NPC29639
0.7786 Intermediate Similarity NPC161065
0.7786 Intermediate Similarity NPC264954
0.7786 Intermediate Similarity NPC81222
0.7786 Intermediate Similarity NPC5883
0.7786 Intermediate Similarity NPC9674
0.7786 Intermediate Similarity NPC304260
0.7786 Intermediate Similarity NPC291820
0.7786 Intermediate Similarity NPC44899
0.7778 Intermediate Similarity NPC305496
0.7778 Intermediate Similarity NPC475030
0.7778 Intermediate Similarity NPC298841
0.777 Intermediate Similarity NPC194716
0.777 Intermediate Similarity NPC171619
0.7769 Intermediate Similarity NPC142066
0.7769 Intermediate Similarity NPC196429
0.7769 Intermediate Similarity NPC471351

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC245017 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
0.8527 High Similarity NPD6336 Discontinued
0.8346 Intermediate Similarity NPD7101 Approved
0.8244 Intermediate Similarity NPD7507 Approved
0.8062 Intermediate Similarity NPD7100 Approved
0.806 Intermediate Similarity NPD7319 Approved
0.8047 Intermediate Similarity NPD6009 Approved
0.7937 Intermediate Similarity NPD5216 Approved
0.7937 Intermediate Similarity NPD5217 Approved
0.7895 Intermediate Similarity NPD7492 Approved
0.7863 Intermediate Similarity NPD6054 Approved
0.7852 Intermediate Similarity NPD7736 Approved
0.7836 Intermediate Similarity NPD6616 Approved
0.7829 Intermediate Similarity NPD6868 Approved
0.7812 Intermediate Similarity NPD4632 Approved
0.7803 Intermediate Similarity NPD5983 Phase 2
0.7778 Intermediate Similarity NPD7078 Approved
0.7744 Intermediate Similarity NPD6370 Approved
0.7734 Intermediate Similarity NPD6882 Approved
0.7721 Intermediate Similarity NPD6033 Approved
0.771 Intermediate Similarity NPD7328 Approved
0.771 Intermediate Similarity NPD7327 Approved
0.7669 Intermediate Similarity NPD6015 Approved
0.7669 Intermediate Similarity NPD6016 Approved
0.7669 Intermediate Similarity NPD8033 Approved
0.7656 Intermediate Similarity NPD5215 Approved
0.7652 Intermediate Similarity NPD7516 Approved
0.7634 Intermediate Similarity NPD7115 Discovery
0.7615 Intermediate Similarity NPD5167 Approved
0.7612 Intermediate Similarity NPD5988 Approved
0.7609 Intermediate Similarity NPD5956 Approved
0.7597 Intermediate Similarity NPD8297 Approved
0.7594 Intermediate Similarity NPD6059 Approved
0.7594 Intermediate Similarity NPD8377 Approved
0.7594 Intermediate Similarity NPD8294 Approved
0.7576 Intermediate Similarity NPD6335 Approved
0.7559 Intermediate Similarity NPD6881 Approved
0.7559 Intermediate Similarity NPD6899 Approved
0.7537 Intermediate Similarity NPD8335 Approved
0.7537 Intermediate Similarity NPD8379 Approved
0.7537 Intermediate Similarity NPD8378 Approved
0.7537 Intermediate Similarity NPD8380 Approved
0.7537 Intermediate Similarity NPD8296 Approved
0.7537 Intermediate Similarity NPD7503 Approved
0.7519 Intermediate Similarity NPD6649 Approved
0.7519 Intermediate Similarity NPD6650 Approved
0.7518 Intermediate Similarity NPD8293 Discontinued
0.748 Intermediate Similarity NPD5697 Approved
0.748 Intermediate Similarity NPD6412 Phase 2
0.7463 Intermediate Similarity NPD6319 Approved
0.7444 Intermediate Similarity NPD6313 Approved
0.7444 Intermediate Similarity NPD6314 Approved
0.7442 Intermediate Similarity NPD6883 Approved
0.7442 Intermediate Similarity NPD7290 Approved
0.7442 Intermediate Similarity NPD7102 Approved
0.7422 Intermediate Similarity NPD7320 Approved
0.7422 Intermediate Similarity NPD5168 Approved
0.7422 Intermediate Similarity NPD6686 Approved
0.7402 Intermediate Similarity NPD7128 Approved
0.7402 Intermediate Similarity NPD5739 Approved
0.7402 Intermediate Similarity NPD6402 Approved
0.7402 Intermediate Similarity NPD6675 Approved
0.7402 Intermediate Similarity NPD6008 Approved
0.7385 Intermediate Similarity NPD6617 Approved
0.7385 Intermediate Similarity NPD6847 Approved
0.7385 Intermediate Similarity NPD6869 Approved
0.7385 Intermediate Similarity NPD8130 Phase 1
0.7364 Intermediate Similarity NPD6013 Approved
0.7364 Intermediate Similarity NPD6372 Approved
0.7364 Intermediate Similarity NPD6012 Approved
0.7364 Intermediate Similarity NPD6373 Approved
0.7364 Intermediate Similarity NPD6014 Approved
0.7299 Intermediate Similarity NPD7604 Phase 2
0.7287 Intermediate Similarity NPD6011 Approved
0.7209 Intermediate Similarity NPD5701 Approved
0.72 Intermediate Similarity NPD7638 Approved
0.7197 Intermediate Similarity NPD6053 Discontinued
0.7176 Intermediate Similarity NPD5169 Approved
0.7165 Intermediate Similarity NPD5211 Phase 2
0.7154 Intermediate Similarity NPD5128 Approved
0.7143 Intermediate Similarity NPD4696 Approved
0.7143 Intermediate Similarity NPD7639 Approved
0.7143 Intermediate Similarity NPD7640 Approved
0.7143 Intermediate Similarity NPD5285 Approved
0.7143 Intermediate Similarity NPD5286 Approved
0.7121 Intermediate Similarity NPD5127 Approved
0.7054 Intermediate Similarity NPD5141 Approved
0.705 Intermediate Similarity NPD8328 Phase 3
0.7045 Intermediate Similarity NPD4634 Approved
0.7031 Intermediate Similarity NPD5224 Approved
0.7031 Intermediate Similarity NPD5226 Approved
0.7031 Intermediate Similarity NPD4633 Approved
0.7031 Intermediate Similarity NPD5225 Approved
0.7015 Intermediate Similarity NPD8133 Approved
0.7007 Intermediate Similarity NPD4522 Approved
0.6992 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6984 Remote Similarity NPD4755 Approved
0.6977 Remote Similarity NPD5175 Approved
0.6977 Remote Similarity NPD5174 Approved
0.697 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6953 Remote Similarity NPD5223 Approved
0.6917 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6912 Remote Similarity NPD6274 Approved
0.6906 Remote Similarity NPD8515 Approved
0.6906 Remote Similarity NPD8513 Phase 3
0.6906 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6906 Remote Similarity NPD8516 Approved
0.6906 Remote Similarity NPD8517 Approved
0.6894 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6875 Remote Similarity NPD4700 Approved
0.6861 Remote Similarity NPD6317 Approved
0.6855 Remote Similarity NPD6079 Approved
0.685 Remote Similarity NPD6084 Phase 2
0.685 Remote Similarity NPD6083 Phase 2
0.6842 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6067 Discontinued
0.68 Remote Similarity NPD6399 Phase 3
0.6767 Remote Similarity NPD4729 Approved
0.6767 Remote Similarity NPD4730 Approved
0.6739 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6712 Remote Similarity NPD7260 Phase 2
0.6694 Remote Similarity NPD5328 Approved
0.6693 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6692 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4202 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD5251 Approved
0.6667 Remote Similarity NPD5248 Approved
0.6667 Remote Similarity NPD5247 Approved
0.6667 Remote Similarity NPD5250 Approved
0.6667 Remote Similarity NPD5249 Phase 3
0.6667 Remote Similarity NPD4225 Approved
0.6667 Remote Similarity NPD6909 Approved
0.6667 Remote Similarity NPD6908 Approved
0.6667 Remote Similarity NPD6371 Approved
0.6641 Remote Similarity NPD5222 Approved
0.6641 Remote Similarity NPD7632 Discontinued
0.6641 Remote Similarity NPD5221 Approved
0.6641 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6617 Remote Similarity NPD4768 Approved
0.6617 Remote Similarity NPD4767 Approved
0.6591 Remote Similarity NPD4754 Approved
0.6589 Remote Similarity NPD5173 Approved
0.6589 Remote Similarity NPD7902 Approved
0.6567 Remote Similarity NPD6614 Approved
0.6562 Remote Similarity NPD4629 Approved
0.6562 Remote Similarity NPD5695 Phase 3
0.6562 Remote Similarity NPD5210 Approved
0.6552 Remote Similarity NPD8074 Phase 3
0.6544 Remote Similarity NPD5135 Approved
0.6544 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6532 Remote Similarity NPD3573 Approved
0.6529 Remote Similarity NPD7799 Discontinued
0.6514 Remote Similarity NPD6784 Approved
0.6514 Remote Similarity NPD6785 Approved
0.6512 Remote Similarity NPD4697 Phase 3
0.6496 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6484 Remote Similarity NPD7748 Approved
0.648 Remote Similarity NPD7513 Clinical (unspecified phase)
0.648 Remote Similarity NPD6903 Approved
0.6457 Remote Similarity NPD5281 Approved
0.6457 Remote Similarity NPD7515 Phase 2
0.6457 Remote Similarity NPD5284 Approved
0.6457 Remote Similarity NPD5693 Phase 1
0.6456 Remote Similarity NPD7236 Approved
0.6452 Remote Similarity NPD3618 Phase 1
0.6452 Remote Similarity NPD7521 Approved
0.6452 Remote Similarity NPD6684 Approved
0.6452 Remote Similarity NPD6409 Approved
0.6452 Remote Similarity NPD5330 Approved
0.6452 Remote Similarity NPD7146 Approved
0.6452 Remote Similarity NPD7334 Approved
0.6447 Remote Similarity NPD6334 Approved
0.6447 Remote Similarity NPD6333 Approved
0.6444 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6443 Remote Similarity NPD6845 Suspended
0.6429 Remote Similarity NPD4753 Phase 2
0.6418 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6412 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6391 Remote Similarity NPD5091 Approved
0.6378 Remote Similarity NPD5785 Approved
0.6357 Remote Similarity NPD7900 Approved
0.6357 Remote Similarity NPD6001 Approved
0.6357 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6329 Remote Similarity NPD7625 Phase 1
0.6328 Remote Similarity NPD8035 Phase 2
0.6328 Remote Similarity NPD8034 Phase 2
0.6319 Remote Similarity NPD6921 Approved
0.6316 Remote Similarity NPD5344 Discontinued
0.6308 Remote Similarity NPD5654 Approved
0.6308 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6299 Remote Similarity NPD6904 Approved
0.6299 Remote Similarity NPD6673 Approved
0.6299 Remote Similarity NPD6080 Approved
0.629 Remote Similarity NPD3133 Approved
0.629 Remote Similarity NPD3665 Phase 1
0.629 Remote Similarity NPD4786 Approved
0.629 Remote Similarity NPD3666 Approved
0.6258 Remote Similarity NPD7239 Suspended
0.625 Remote Similarity NPD5207 Approved
0.625 Remote Similarity NPD6698 Approved

Structure

External Identifiers

PubChem CID   16681115
ChEMBL   CHEMBL1099357
ZINC  

Physicochemical Properties

Molecular Weight:  548.25
ALogP:  1.9219
MLogP:  3.88
XLogP:  2.62
# Rotatable Bonds:  12
Polar Surface Area:  102.29
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  38

Download Data

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Biological Activities  
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