Natural Product: NPC69279

Natural Product ID:  NPC69279
Common Name:   Dehydroeburiconic Acid
IUPAC Name:   6-methyl-5-methylidene-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Synonyms:   Dehydroeburiconic Acid
Molecular Formula:   C31H46O3
Standard InCHIKey:  DVXFDXIVWQWLIU-IZARGIBGSA-N
Standard InCHI:  InChI=1S/C31H46O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,29-,30-,31+/m1/s1
Canonical SMILES:  CC(C(=C)CCC([C@H]1CC[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)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
NPO33546 Poria coco Species Eukaryota Yunnan, Kunming, China PMID[17488130]
NPO23577 Wolfiporia cocos Species Coriolaceae Eukaryota TM-MC*
NPO3354 Fomes officinalis Species Coriolaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 9.5 % 17488130
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 43.9 % 17488130
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 79.5 % 17488130
NPT164 Organism Human herpesvirus 4 Human herpesvirus 4 Inhibition = 100 % 17488130
NPT80 Cell Line Raji Homo sapiens Activity = 70 % 17488130
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 5500 nM 21250700
NPT81 Cell Line A549 Homo sapiens IC50 = 10000 nM 21250700
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 = 12200 nM 21250700
NPT116 Cell Line HL-60 Homo sapiens IC50 = 29200 nM 21250700
NPT377 Cell Line OVCAR-3 Homo sapiens IC50 = 37700 nM 21250700
NPT2 Others Unspecified IC50 = 89700 nM 21250700
NPT90 Cell Line DU-145 Homo sapiens IC50 > 100000 nM 21250700
NPT2 Others Unspecified IC50 > 100000 nM 21250700
NPT2477 Cell Line NUGC-3 Homo sapiens IC50 = 38400 nM 23092389
NPT1044 Individual Protein DNA topoisomerase II alpha Homo sapiens IC50 = 4600 nM 23092389

  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 NPC69279 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
1.0 High Similarity NPC83569
0.974 High Similarity NPC38350
0.974 High Similarity NPC201912
0.9615 High Similarity NPC260956
0.9487 High Similarity NPC147066
0.9481 High Similarity NPC477371
0.9241 High Similarity NPC477372
0.9231 High Similarity NPC196827
0.9231 High Similarity NPC274996
0.9125 High Similarity NPC133391
0.9125 High Similarity NPC320514
0.9091 High Similarity NPC309399
0.9059 High Similarity NPC204341
0.9048 High Similarity NPC84271
0.9048 High Similarity NPC102414
0.9048 High Similarity NPC77168
0.9024 High Similarity NPC29447
0.9012 High Similarity NPC470015
0.9012 High Similarity NPC477373
0.9012 High Similarity NPC168188
0.9012 High Similarity NPC310470
0.8953 High Similarity NPC152897
0.8953 High Similarity NPC66429
0.8889 High Similarity NPC296367
0.8831 High Similarity NPC301065
0.881 High Similarity NPC233836
0.881 High Similarity NPC187376
0.881 High Similarity NPC136948
0.881 High Similarity NPC96496
0.881 High Similarity NPC159046
0.8795 High Similarity NPC123319
0.8795 High Similarity NPC311702
0.8795 High Similarity NPC94531
0.878 High Similarity NPC70834
0.8765 High Similarity NPC142244
0.875 High Similarity NPC158846
0.875 High Similarity NPC263347
0.875 High Similarity NPC215843
0.875 High Similarity NPC171395
0.869 High Similarity NPC89077
0.869 High Similarity NPC155011
0.869 High Similarity NPC55309
0.869 High Similarity NPC28252
0.8675 High Similarity NPC165064
0.8675 High Similarity NPC87552
0.8675 High Similarity NPC473246
0.8652 High Similarity NPC155676
0.8636 High Similarity NPC469406
0.8608 High Similarity NPC899
0.8605 High Similarity NPC262043
0.8605 High Similarity NPC54689
0.8605 High Similarity NPC474570
0.8588 High Similarity NPC474684
0.8588 High Similarity NPC142361
0.8588 High Similarity NPC136548
0.8571 High Similarity NPC474083
0.8571 High Similarity NPC11711
0.8571 High Similarity NPC160817
0.8571 High Similarity NPC473038
0.8554 High Similarity NPC477852
0.8554 High Similarity NPC167103
0.8539 High Similarity NPC45324
0.8539 High Similarity NPC162001
0.8539 High Similarity NPC222845
0.8537 High Similarity NPC267691
0.8537 High Similarity NPC471898
0.8537 High Similarity NPC278459
0.8537 High Similarity NPC263272
0.8537 High Similarity NPC274050
0.8537 High Similarity NPC162632
0.8519 High Similarity NPC192744
0.8519 High Similarity NPC231431
0.8506 High Similarity NPC148414
0.8506 High Similarity NPC111585
0.8506 High Similarity NPC69622
0.8506 High Similarity NPC46281
0.8506 High Similarity NPC175628
0.85 High Similarity NPC471897
0.85 High Similarity NPC107039
0.85 High Similarity NPC165711
0.85 High Similarity NPC66105
0.85 High Similarity NPC471899
0.8488 Intermediate Similarity NPC44181
0.8488 Intermediate Similarity NPC242864
0.8488 Intermediate Similarity NPC48866
0.8488 Intermediate Similarity NPC247406
0.8481 Intermediate Similarity NPC476844
0.8481 Intermediate Similarity NPC279666
0.8481 Intermediate Similarity NPC192540
0.8471 Intermediate Similarity NPC473168
0.8471 Intermediate Similarity NPC6247
0.8462 Intermediate Similarity NPC166745
0.8462 Intermediate Similarity NPC235464
0.8452 Intermediate Similarity NPC221758
0.8452 Intermediate Similarity NPC214043
0.8452 Intermediate Similarity NPC164577
0.8452 Intermediate Similarity NPC82902
0.8452 Intermediate Similarity NPC209882
0.8452 Intermediate Similarity NPC85774
0.8452 Intermediate Similarity NPC59453
0.8434 Intermediate Similarity NPC327969
0.8434 Intermediate Similarity NPC251779
0.8434 Intermediate Similarity NPC3511
0.8434 Intermediate Similarity NPC321289
0.8434 Intermediate Similarity NPC240302
0.8434 Intermediate Similarity NPC193347
0.8434 Intermediate Similarity NPC69101
0.8434 Intermediate Similarity NPC142253
0.8427 Intermediate Similarity NPC49670
0.8415 Intermediate Similarity NPC37038
0.8409 Intermediate Similarity NPC26888
0.8409 Intermediate Similarity NPC297265
0.8409 Intermediate Similarity NPC154101
0.8395 Intermediate Similarity NPC280654
0.8395 Intermediate Similarity NPC321514
0.8395 Intermediate Similarity NPC189485
0.8395 Intermediate Similarity NPC4827
0.8395 Intermediate Similarity NPC110094
0.8395 Intermediate Similarity NPC74410
0.8395 Intermediate Similarity NPC179028
0.8395 Intermediate Similarity NPC260385
0.8391 Intermediate Similarity NPC475921
0.8391 Intermediate Similarity NPC474704
0.8391 Intermediate Similarity NPC474889
0.8375 Intermediate Similarity NPC20466
0.8375 Intermediate Similarity NPC69143
0.8375 Intermediate Similarity NPC246445
0.8375 Intermediate Similarity NPC89294
0.8375 Intermediate Similarity NPC180886
0.8372 Intermediate Similarity NPC167877
0.8372 Intermediate Similarity NPC312215
0.8354 Intermediate Similarity NPC241854
0.8354 Intermediate Similarity NPC103958
0.8354 Intermediate Similarity NPC306928
0.8354 Intermediate Similarity NPC237591
0.8354 Intermediate Similarity NPC3753
0.8354 Intermediate Similarity NPC283908
0.8354 Intermediate Similarity NPC476046
0.8354 Intermediate Similarity NPC183503
0.8354 Intermediate Similarity NPC161923
0.8354 Intermediate Similarity NPC251970
0.8353 Intermediate Similarity NPC470223
0.8353 Intermediate Similarity NPC471224
0.8353 Intermediate Similarity NPC470048
0.8353 Intermediate Similarity NPC269638
0.8353 Intermediate Similarity NPC474537
0.8353 Intermediate Similarity NPC469948
0.8353 Intermediate Similarity NPC474218
0.8333 Intermediate Similarity NPC102197
0.8333 Intermediate Similarity NPC97913
0.8315 Intermediate Similarity NPC472942
0.8315 Intermediate Similarity NPC206810
0.8315 Intermediate Similarity NPC243866
0.8315 Intermediate Similarity NPC250575
0.8313 Intermediate Similarity NPC4166
0.8295 Intermediate Similarity NPC471896
0.8295 Intermediate Similarity NPC123854
0.8295 Intermediate Similarity NPC469400
0.8295 Intermediate Similarity NPC129913
0.8293 Intermediate Similarity NPC472490
0.8293 Intermediate Similarity NPC16394
0.8293 Intermediate Similarity NPC199595
0.828 Intermediate Similarity NPC99411
0.8276 Intermediate Similarity NPC72397
0.8276 Intermediate Similarity NPC294480
0.8276 Intermediate Similarity NPC472220
0.8276 Intermediate Similarity NPC97884
0.8276 Intermediate Similarity NPC24816
0.8276 Intermediate Similarity NPC471722
0.8272 Intermediate Similarity NPC68828
0.8272 Intermediate Similarity NPC212661
0.8272 Intermediate Similarity NPC471035
0.8261 Intermediate Similarity NPC471717
0.8261 Intermediate Similarity NPC477813
0.8261 Intermediate Similarity NPC48647
0.8261 Intermediate Similarity NPC186810
0.8256 Intermediate Similarity NPC31564
0.8256 Intermediate Similarity NPC145879
0.8256 Intermediate Similarity NPC475022
0.8256 Intermediate Similarity NPC51014
0.8256 Intermediate Similarity NPC212843
0.8256 Intermediate Similarity NPC72133
0.8256 Intermediate Similarity NPC474732
0.8256 Intermediate Similarity NPC222613
0.8256 Intermediate Similarity NPC474733
0.8256 Intermediate Similarity NPC474778
0.8256 Intermediate Similarity NPC94755
0.8256 Intermediate Similarity NPC469994
0.8256 Intermediate Similarity NPC118648
0.8242 Intermediate Similarity NPC472941
0.8242 Intermediate Similarity NPC456
0.8235 Intermediate Similarity NPC320801
0.8235 Intermediate Similarity NPC237712
0.8235 Intermediate Similarity NPC476038
0.8235 Intermediate Similarity NPC472865
0.8235 Intermediate Similarity NPC194937
0.8235 Intermediate Similarity NPC96095
0.8235 Intermediate Similarity NPC144258
0.8228 Intermediate Similarity NPC330659
0.8228 Intermediate Similarity NPC244708

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69279 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
0.8837 High Similarity NPD5281 Approved
0.8837 High Similarity NPD5284 Approved
0.869 High Similarity NPD5280 Approved
0.869 High Similarity NPD4694 Approved
0.8471 Intermediate Similarity NPD5279 Phase 3
0.8452 Intermediate Similarity NPD4786 Approved
0.8434 Intermediate Similarity NPD4221 Approved
0.8434 Intermediate Similarity NPD4223 Phase 3
0.8409 Intermediate Similarity NPD6050 Approved
0.8354 Intermediate Similarity NPD5733 Approved
0.8353 Intermediate Similarity NPD5329 Approved
0.8315 Intermediate Similarity NPD6399 Phase 3
0.8295 Intermediate Similarity NPD5207 Approved
0.8295 Intermediate Similarity NPD5692 Phase 3
0.8256 Intermediate Similarity NPD5690 Phase 2
0.8256 Intermediate Similarity NPD6098 Approved
0.8235 Intermediate Similarity NPD4197 Approved
0.8214 Intermediate Similarity NPD3667 Approved
0.8202 Intermediate Similarity NPD5694 Approved
0.8182 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.8132 Intermediate Similarity NPD5695 Phase 3
0.8125 Intermediate Similarity NPD4687 Approved
0.8101 Intermediate Similarity NPD5276 Approved
0.8095 Intermediate Similarity NPD4692 Approved
0.8095 Intermediate Similarity NPD4139 Approved
0.809 Intermediate Similarity NPD4096 Approved
0.8068 Intermediate Similarity NPD6672 Approved
0.8068 Intermediate Similarity NPD5737 Approved
0.8046 Intermediate Similarity NPD4689 Approved
0.8046 Intermediate Similarity NPD7146 Approved
0.8046 Intermediate Similarity NPD4138 Approved
0.8046 Intermediate Similarity NPD5330 Approved
0.8046 Intermediate Similarity NPD7334 Approved
0.8046 Intermediate Similarity NPD4688 Approved
0.8046 Intermediate Similarity NPD4693 Phase 3
0.8046 Intermediate Similarity NPD6684 Approved
0.8046 Intermediate Similarity NPD4690 Approved
0.8046 Intermediate Similarity NPD5205 Approved
0.8046 Intermediate Similarity NPD7521 Approved
0.8046 Intermediate Similarity NPD6409 Approved
0.8023 Intermediate Similarity NPD3133 Approved
0.8023 Intermediate Similarity NPD3665 Phase 1
0.8023 Intermediate Similarity NPD3666 Approved
0.7979 Intermediate Similarity NPD6404 Discontinued
0.7978 Intermediate Similarity NPD6904 Approved
0.7978 Intermediate Similarity NPD6673 Approved
0.7978 Intermediate Similarity NPD5328 Approved
0.7978 Intermediate Similarity NPD6080 Approved
0.7957 Intermediate Similarity NPD6084 Phase 2
0.7957 Intermediate Similarity NPD6083 Phase 2
0.7952 Intermediate Similarity NPD3617 Approved
0.7912 Intermediate Similarity NPD5133 Approved
0.7865 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7865 Intermediate Similarity NPD6903 Approved
0.7865 Intermediate Similarity NPD4518 Approved
0.7865 Intermediate Similarity NPD5208 Approved
0.7841 Intermediate Similarity NPD3618 Phase 1
0.7802 Intermediate Similarity NPD6079 Approved
0.7778 Intermediate Similarity NPD4753 Phase 2
0.775 Intermediate Similarity NPD4747 Approved
0.7742 Intermediate Similarity NPD5654 Approved
0.7727 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7684 Intermediate Similarity NPD5696 Approved
0.7683 Intermediate Similarity NPD4058 Approved
0.7654 Intermediate Similarity NPD4243 Approved
0.7647 Intermediate Similarity NPD4195 Approved
0.764 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD4137 Phase 3
0.7614 Intermediate Similarity NPD3668 Phase 3
0.7609 Intermediate Similarity NPD5693 Phase 1
0.7609 Intermediate Similarity NPD7515 Phase 2
0.7579 Intermediate Similarity NPD5959 Approved
0.7558 Intermediate Similarity NPD4695 Discontinued
0.7553 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD4691 Approved
0.7527 Intermediate Similarity NPD4202 Approved
0.75 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4788 Approved
0.747 Intermediate Similarity NPD4784 Approved
0.747 Intermediate Similarity NPD4785 Approved
0.7468 Intermediate Similarity NPD4224 Phase 2
0.7447 Intermediate Similarity NPD7748 Approved
0.7447 Intermediate Similarity NPD6001 Approved
0.7444 Intermediate Similarity NPD4623 Approved
0.7444 Intermediate Similarity NPD4519 Discontinued
0.7439 Intermediate Similarity NPD6081 Approved
0.7419 Intermediate Similarity NPD6411 Approved
0.74 Intermediate Similarity NPD5739 Approved
0.74 Intermediate Similarity NPD7128 Approved
0.74 Intermediate Similarity NPD6675 Approved
0.74 Intermediate Similarity NPD6402 Approved
0.7381 Intermediate Similarity NPD7339 Approved
0.7381 Intermediate Similarity NPD6942 Approved
0.7368 Intermediate Similarity NPD4629 Approved
0.7368 Intermediate Similarity NPD5210 Approved
0.7326 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD7614 Phase 1
0.7292 Intermediate Similarity NPD5222 Approved
0.7292 Intermediate Similarity NPD5221 Approved
0.7292 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4697 Phase 3
0.7262 Intermediate Similarity NPD6926 Approved
0.7262 Intermediate Similarity NPD6924 Approved
0.7255 Intermediate Similarity NPD7320 Approved
0.7255 Intermediate Similarity NPD6899 Approved
0.7255 Intermediate Similarity NPD6881 Approved
0.7234 Intermediate Similarity NPD8035 Phase 2
0.7234 Intermediate Similarity NPD8034 Phase 2
0.7216 Intermediate Similarity NPD4755 Approved
0.7216 Intermediate Similarity NPD5173 Approved
0.7216 Intermediate Similarity NPD7902 Approved
0.7204 Intermediate Similarity NPD6101 Approved
0.7204 Intermediate Similarity NPD5764 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD6372 Approved
0.7184 Intermediate Similarity NPD6373 Approved
0.7176 Intermediate Similarity NPD4190 Phase 3
0.7176 Intermediate Similarity NPD5275 Approved
0.7174 Intermediate Similarity NPD3573 Approved
0.7157 Intermediate Similarity NPD5701 Approved
0.7157 Intermediate Similarity NPD5697 Approved
0.7115 Intermediate Similarity NPD7290 Approved
0.7115 Intermediate Similarity NPD6883 Approved
0.7115 Intermediate Similarity NPD7102 Approved
0.7111 Intermediate Similarity NPD3527 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD6933 Approved
0.7093 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD6011 Approved
0.7073 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD5360 Phase 3
0.7071 Intermediate Similarity NPD4696 Approved
0.7071 Intermediate Similarity NPD4700 Approved
0.7071 Intermediate Similarity NPD5286 Approved
0.7071 Intermediate Similarity NPD5285 Approved
0.7059 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD6869 Approved
0.7048 Intermediate Similarity NPD6650 Approved
0.7048 Intermediate Similarity NPD6847 Approved
0.7048 Intermediate Similarity NPD6649 Approved
0.7048 Intermediate Similarity NPD8130 Phase 1
0.7048 Intermediate Similarity NPD6617 Approved
0.703 Intermediate Similarity NPD6052 Approved
0.7019 Intermediate Similarity NPD6012 Approved
0.7019 Intermediate Similarity NPD6013 Approved
0.7019 Intermediate Similarity NPD6014 Approved
0.7 Intermediate Similarity NPD5223 Approved
0.6988 Remote Similarity NPD6922 Approved
0.6988 Remote Similarity NPD6923 Approved
0.6981 Remote Similarity NPD8297 Approved
0.6981 Remote Similarity NPD6882 Approved
0.697 Remote Similarity NPD7638 Approved
0.6966 Remote Similarity NPD7525 Registered
0.6931 Remote Similarity NPD5226 Approved
0.6931 Remote Similarity NPD5091 Approved
0.6931 Remote Similarity NPD4633 Approved
0.6931 Remote Similarity NPD5211 Phase 2
0.6931 Remote Similarity NPD5224 Approved
0.6931 Remote Similarity NPD5225 Approved
0.6914 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6907 Remote Similarity NPD7900 Approved
0.6905 Remote Similarity NPD4789 Approved
0.6905 Remote Similarity NPD7144 Approved
0.6905 Remote Similarity NPD7143 Approved
0.69 Remote Similarity NPD7640 Approved
0.69 Remote Similarity NPD7639 Approved
0.6897 Remote Similarity NPD6117 Approved
0.6875 Remote Similarity NPD7637 Suspended
0.6863 Remote Similarity NPD5175 Approved
0.6863 Remote Similarity NPD5174 Approved
0.6863 Remote Similarity NPD4754 Approved
0.6854 Remote Similarity NPD6929 Approved
0.6842 Remote Similarity NPD6051 Approved
0.6829 Remote Similarity NPD7331 Phase 2
0.6827 Remote Similarity NPD6412 Phase 2
0.6827 Remote Similarity NPD6614 Approved
0.6824 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7152 Approved
0.6824 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7151 Approved
0.6824 Remote Similarity NPD7150 Approved
0.6818 Remote Similarity NPD6116 Phase 1
0.6813 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6804 Remote Similarity NPD5778 Approved
0.6804 Remote Similarity NPD5779 Approved
0.6796 Remote Similarity NPD5141 Approved
0.6789 Remote Similarity NPD6868 Approved
0.6782 Remote Similarity NPD3702 Approved
0.6782 Remote Similarity NPD8039 Approved
0.6778 Remote Similarity NPD6931 Approved
0.6778 Remote Similarity NPD5368 Approved
0.6778 Remote Similarity NPD6930 Phase 2
0.6768 Remote Similarity NPD7732 Phase 3
0.6759 Remote Similarity NPD4632 Approved
0.6742 Remote Similarity NPD6115 Approved
0.6742 Remote Similarity NPD6697 Approved
0.6742 Remote Similarity NPD6118 Approved
0.6742 Remote Similarity NPD6114 Approved
0.6739 Remote Similarity NPD5362 Discontinued
0.6731 Remote Similarity NPD6008 Approved

Structure

External Identifiers

PubChem CID   12133302
ChEMBL   CHEMBL449350
ZINC  

Physicochemical Properties

Molecular Weight:  466.34
ALogP:  3.6633
MLogP:  4.54
XLogP:  8.174
# Rotatable Bonds:  14
Polar Surface Area:  54.37
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  34

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Biological Activities  
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