Natural Product: NPC470050

Natural Product ID:  NPC470050
Common Name:   Cornusalterin L
IUPAC Name:   (9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(3S,5S)-5-(2-methylprop-1-enyl)oxolan-3-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Synonyms:   Cornusalterin L
Molecular Formula:   C30H46O2
Standard InCHIKey:  WAGHSYJXJAHWPX-DYRFBARISA-N
Standard InCHI:  InChI=1S/C30H46O2/c1-19(2)16-21-17-20(18-32-21)22-10-14-30(7)24-8-9-25-27(3,4)26(31)12-13-28(25,5)23(24)11-15-29(22,30)6/h8,16,20-23,25H,9-15,17-18H2,1-7H3/t20-,21-,22+,23+,25?,28-,29+,30-/m1/s1
Canonical SMILES:  CC(=C[C@H]1OC[C@@H](C1)[C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CCC2[C@]1(C)CCC(=O)C2(C)C)C)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
NPO19594 Cornus walteri Species Cornaceae Eukaryota PMID[21182258]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 = 3820 nM Open TG-GATES in vivo data: Biochemistry
NPT574 Cell Line XF498 Homo sapiens IC50 = 5810 nM 21644570
NPT81 Cell Line A549 Homo sapiens IC50 = 4290 nM 10.1007/s00044-010-9325-2
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 = 4730 nM 15711537

  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 NPC470050 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 NPC470051
0.9625 High Similarity NPC470046
0.9625 High Similarity NPC470047
0.9186 High Similarity NPC190442
0.9157 High Similarity NPC470048
0.908 High Similarity NPC229976
0.8929 High Similarity NPC470223
0.8837 High Similarity NPC28227
0.8706 High Similarity NPC471224
0.8588 High Similarity NPC100391
0.8571 High Similarity NPC322063
0.8537 High Similarity NPC470052
0.8488 Intermediate Similarity NPC137493
0.8488 Intermediate Similarity NPC474083
0.8478 Intermediate Similarity NPC151488
0.8478 Intermediate Similarity NPC475894
0.8391 Intermediate Similarity NPC469994
0.8391 Intermediate Similarity NPC264127
0.8391 Intermediate Similarity NPC195640
0.8372 Intermediate Similarity NPC221758
0.8372 Intermediate Similarity NPC85774
0.8372 Intermediate Similarity NPC59453
0.8372 Intermediate Similarity NPC214043
0.8372 Intermediate Similarity NPC82902
0.8315 Intermediate Similarity NPC177141
0.8315 Intermediate Similarity NPC309603
0.8315 Intermediate Similarity NPC473999
0.8315 Intermediate Similarity NPC2983
0.8295 Intermediate Similarity NPC317590
0.8295 Intermediate Similarity NPC167877
0.8276 Intermediate Similarity NPC323765
0.8276 Intermediate Similarity NPC474218
0.8261 Intermediate Similarity NPC33473
0.8242 Intermediate Similarity NPC470224
0.8229 Intermediate Similarity NPC36688
0.8222 Intermediate Similarity NPC273199
0.8222 Intermediate Similarity NPC48010
0.8222 Intermediate Similarity NPC320026
0.8211 Intermediate Similarity NPC310981
0.8202 Intermediate Similarity NPC472220
0.8202 Intermediate Similarity NPC226863
0.8202 Intermediate Similarity NPC97884
0.8193 Intermediate Similarity NPC470557
0.8191 Intermediate Similarity NPC252295
0.8191 Intermediate Similarity NPC153792
0.8191 Intermediate Similarity NPC271387
0.8182 Intermediate Similarity NPC474732
0.8182 Intermediate Similarity NPC51014
0.8182 Intermediate Similarity NPC31564
0.8182 Intermediate Similarity NPC474733
0.8182 Intermediate Similarity NPC145879
0.8182 Intermediate Similarity NPC474778
0.8172 Intermediate Similarity NPC307164
0.8172 Intermediate Similarity NPC78473
0.8161 Intermediate Similarity NPC473246
0.8152 Intermediate Similarity NPC471720
0.814 Intermediate Similarity NPC328351
0.814 Intermediate Similarity NPC151519
0.8132 Intermediate Similarity NPC262870
0.8132 Intermediate Similarity NPC473998
0.8132 Intermediate Similarity NPC218301
0.8132 Intermediate Similarity NPC49420
0.8132 Intermediate Similarity NPC475806
0.8125 Intermediate Similarity NPC185530
0.8118 Intermediate Similarity NPC195424
0.8111 Intermediate Similarity NPC285982
0.8111 Intermediate Similarity NPC474570
0.8105 Intermediate Similarity NPC201406
0.8095 Intermediate Similarity NPC469996
0.809 Intermediate Similarity NPC58063
0.809 Intermediate Similarity NPC475740
0.809 Intermediate Similarity NPC90652
0.8085 Intermediate Similarity NPC187159
0.8085 Intermediate Similarity NPC291634
0.8085 Intermediate Similarity NPC126815
0.8068 Intermediate Similarity NPC469948
0.8068 Intermediate Similarity NPC189311
0.8061 Intermediate Similarity NPC127790
0.8046 Intermediate Similarity NPC193198
0.8046 Intermediate Similarity NPC170862
0.8043 Intermediate Similarity NPC475700
0.8043 Intermediate Similarity NPC169343
0.8043 Intermediate Similarity NPC474736
0.8041 Intermediate Similarity NPC26478
0.8023 Intermediate Similarity NPC474752
0.8023 Intermediate Similarity NPC7505
0.8023 Intermediate Similarity NPC474683
0.8023 Intermediate Similarity NPC474759
0.8023 Intermediate Similarity NPC474731
0.8023 Intermediate Similarity NPC82986
0.8023 Intermediate Similarity NPC147066
0.8022 Intermediate Similarity NPC198818
0.8022 Intermediate Similarity NPC8062
0.8022 Intermediate Similarity NPC469595
0.8022 Intermediate Similarity NPC220454
0.8022 Intermediate Similarity NPC212679
0.8022 Intermediate Similarity NPC471896
0.8022 Intermediate Similarity NPC171441
0.8022 Intermediate Similarity NPC69622
0.8021 Intermediate Similarity NPC474327
0.8 Intermediate Similarity NPC44083
0.8 Intermediate Similarity NPC328313
0.8 Intermediate Similarity NPC215843
0.8 Intermediate Similarity NPC24816
0.8 Intermediate Similarity NPC98868
0.8 Intermediate Similarity NPC470417
0.8 Intermediate Similarity NPC477128
0.8 Intermediate Similarity NPC474845
0.8 Intermediate Similarity NPC176845
0.8 Intermediate Similarity NPC153987
0.7979 Intermediate Similarity NPC160056
0.7978 Intermediate Similarity NPC155011
0.7978 Intermediate Similarity NPC220478
0.7978 Intermediate Similarity NPC473168
0.7959 Intermediate Similarity NPC189616
0.7957 Intermediate Similarity NPC8993
0.7957 Intermediate Similarity NPC174051
0.7957 Intermediate Similarity NPC67831
0.7957 Intermediate Similarity NPC56525
0.7955 Intermediate Similarity NPC161423
0.7955 Intermediate Similarity NPC329043
0.7955 Intermediate Similarity NPC227064
0.7955 Intermediate Similarity NPC237712
0.7955 Intermediate Similarity NPC58841
0.7955 Intermediate Similarity NPC321187
0.7955 Intermediate Similarity NPC475100
0.7955 Intermediate Similarity NPC165064
0.7955 Intermediate Similarity NPC109512
0.7955 Intermediate Similarity NPC25833
0.7935 Intermediate Similarity NPC154101
0.7931 Intermediate Similarity NPC240302
0.7931 Intermediate Similarity NPC100297
0.7931 Intermediate Similarity NPC470049
0.7931 Intermediate Similarity NPC163236
0.7917 Intermediate Similarity NPC476303
0.7917 Intermediate Similarity NPC470906
0.7912 Intermediate Similarity NPC186688
0.7912 Intermediate Similarity NPC469323
0.7912 Intermediate Similarity NPC26959
0.7912 Intermediate Similarity NPC76879
0.7912 Intermediate Similarity NPC31985
0.7912 Intermediate Similarity NPC477943
0.7912 Intermediate Similarity NPC1015
0.7912 Intermediate Similarity NPC32830
0.7912 Intermediate Similarity NPC268406
0.7912 Intermediate Similarity NPC474245
0.7907 Intermediate Similarity NPC170038
0.7907 Intermediate Similarity NPC472478
0.7895 Intermediate Similarity NPC107243
0.7895 Intermediate Similarity NPC57416
0.7895 Intermediate Similarity NPC76266
0.7895 Intermediate Similarity NPC110937
0.7895 Intermediate Similarity NPC253826
0.7889 Intermediate Similarity NPC96496
0.7889 Intermediate Similarity NPC142361
0.7889 Intermediate Similarity NPC474684
0.7889 Intermediate Similarity NPC93778
0.7882 Intermediate Similarity NPC82635
0.7879 Intermediate Similarity NPC60681
0.7875 Intermediate Similarity NPC20610
0.7872 Intermediate Similarity NPC469599
0.7872 Intermediate Similarity NPC280877
0.7872 Intermediate Similarity NPC271195
0.7872 Intermediate Similarity NPC281134
0.7865 Intermediate Similarity NPC470574
0.7865 Intermediate Similarity NPC274724
0.7857 Intermediate Similarity NPC180204
0.7857 Intermediate Similarity NPC476237
0.7857 Intermediate Similarity NPC112009
0.7849 Intermediate Similarity NPC475657
0.7849 Intermediate Similarity NPC472942
0.7849 Intermediate Similarity NPC472930
0.7849 Intermediate Similarity NPC69454
0.7841 Intermediate Similarity NPC22611
0.7841 Intermediate Similarity NPC476082
0.7841 Intermediate Similarity NPC278648
0.7835 Intermediate Similarity NPC168319
0.7835 Intermediate Similarity NPC194028
0.7835 Intermediate Similarity NPC473174
0.7826 Intermediate Similarity NPC111585
0.7826 Intermediate Similarity NPC126993
0.7826 Intermediate Similarity NPC148414
0.7826 Intermediate Similarity NPC76286
0.7826 Intermediate Similarity NPC161638
0.7826 Intermediate Similarity NPC175628
0.7816 Intermediate Similarity NPC201912
0.7816 Intermediate Similarity NPC38350
0.7816 Intermediate Similarity NPC229584
0.7816 Intermediate Similarity NPC14203
0.7816 Intermediate Similarity NPC474955
0.7802 Intermediate Similarity NPC471722
0.7802 Intermediate Similarity NPC215831
0.7802 Intermediate Similarity NPC53911
0.7802 Intermediate Similarity NPC193360
0.7802 Intermediate Similarity NPC328539
0.7802 Intermediate Similarity NPC472302
0.78 Intermediate Similarity NPC131665
0.78 Intermediate Similarity NPC475294
0.78 Intermediate Similarity NPC255387
0.78 Intermediate Similarity NPC144459

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470050 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
0.8409 Intermediate Similarity NPD6903 Approved
0.8391 Intermediate Similarity NPD5330 Approved
0.8391 Intermediate Similarity NPD7334 Approved
0.8391 Intermediate Similarity NPD6409 Approved
0.8391 Intermediate Similarity NPD7146 Approved
0.8391 Intermediate Similarity NPD7521 Approved
0.8391 Intermediate Similarity NPD6684 Approved
0.8372 Intermediate Similarity NPD4786 Approved
0.8202 Intermediate Similarity NPD5737 Approved
0.8202 Intermediate Similarity NPD6672 Approved
0.8202 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD3667 Approved
0.8043 Intermediate Similarity NPD6399 Phase 3
0.7978 Intermediate Similarity NPD6098 Approved
0.7955 Intermediate Similarity NPD3668 Phase 3
0.7955 Intermediate Similarity NPD3665 Phase 1
0.7955 Intermediate Similarity NPD3666 Approved
0.7955 Intermediate Similarity NPD3133 Approved
0.7935 Intermediate Similarity NPD5693 Phase 1
0.7912 Intermediate Similarity NPD6051 Approved
0.7912 Intermediate Similarity NPD5328 Approved
0.7872 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD3618 Phase 1
0.7742 Intermediate Similarity NPD6079 Approved
0.7727 Intermediate Similarity NPD4223 Phase 3
0.7727 Intermediate Similarity NPD4221 Approved
0.7727 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD6904 Approved
0.7717 Intermediate Similarity NPD6673 Approved
0.7717 Intermediate Similarity NPD6080 Approved
0.7683 Intermediate Similarity NPD4747 Approved
0.7667 Intermediate Similarity NPD1694 Approved
0.7667 Intermediate Similarity NPD5329 Approved
0.7634 Intermediate Similarity NPD5207 Approved
0.7609 Intermediate Similarity NPD5208 Approved
0.7582 Intermediate Similarity NPD5279 Phase 3
0.7579 Intermediate Similarity NPD6001 Approved
0.7561 Intermediate Similarity NPD4137 Phase 3
0.7556 Intermediate Similarity NPD4197 Approved
0.7527 Intermediate Similarity NPD4753 Phase 2
0.7526 Intermediate Similarity NPD6084 Phase 2
0.7526 Intermediate Similarity NPD6083 Phase 2
0.7474 Intermediate Similarity NPD4202 Approved
0.747 Intermediate Similarity NPD4691 Approved
0.7449 Intermediate Similarity NPD7638 Approved
0.7439 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5733 Approved
0.7391 Intermediate Similarity NPD4688 Approved
0.7391 Intermediate Similarity NPD4138 Approved
0.7391 Intermediate Similarity NPD5205 Approved
0.7391 Intermediate Similarity NPD4689 Approved
0.7391 Intermediate Similarity NPD4693 Phase 3
0.7391 Intermediate Similarity NPD4690 Approved
0.7374 Intermediate Similarity NPD7639 Approved
0.7374 Intermediate Similarity NPD7640 Approved
0.7368 Intermediate Similarity NPD6050 Approved
0.7353 Intermediate Similarity NPD6008 Approved
0.7326 Intermediate Similarity NPD6942 Approved
0.7326 Intermediate Similarity NPD7339 Approved
0.732 Intermediate Similarity NPD5695 Phase 3
0.7273 Intermediate Similarity NPD3617 Approved
0.7273 Intermediate Similarity NPD5696 Approved
0.7263 Intermediate Similarity NPD5692 Phase 3
0.7253 Intermediate Similarity NPD4788 Approved
0.7245 Intermediate Similarity NPD5222 Approved
0.7245 Intermediate Similarity NPD4697 Phase 3
0.7245 Intermediate Similarity NPD5221 Approved
0.7245 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD7900 Approved
0.7216 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD7748 Approved
0.7212 Intermediate Similarity NPD7320 Approved
0.7209 Intermediate Similarity NPD4058 Approved
0.7209 Intermediate Similarity NPD4687 Approved
0.7204 Intermediate Similarity NPD4694 Approved
0.7204 Intermediate Similarity NPD5280 Approved
0.7204 Intermediate Similarity NPD5690 Phase 2
0.7204 Intermediate Similarity NPD4623 Approved
0.7204 Intermediate Similarity NPD4519 Discontinued
0.7188 Intermediate Similarity NPD5694 Approved
0.7184 Intermediate Similarity NPD7128 Approved
0.7184 Intermediate Similarity NPD6675 Approved
0.7184 Intermediate Similarity NPD6402 Approved
0.7184 Intermediate Similarity NPD5739 Approved
0.7176 Intermediate Similarity NPD5276 Approved
0.7172 Intermediate Similarity NPD4755 Approved
0.7172 Intermediate Similarity NPD5173 Approved
0.7157 Intermediate Similarity NPD6052 Approved
0.7156 Intermediate Similarity NPD7115 Discovery
0.7143 Intermediate Similarity NPD5210 Approved
0.7143 Intermediate Similarity NPD4629 Approved
0.7126 Intermediate Similarity NPD8039 Approved
0.7097 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5211 Phase 2
0.7048 Intermediate Similarity NPD6881 Approved
0.7048 Intermediate Similarity NPD6899 Approved
0.7045 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD4139 Approved
0.7033 Intermediate Similarity NPD4692 Approved
0.703 Intermediate Similarity NPD5286 Approved
0.703 Intermediate Similarity NPD4696 Approved
0.703 Intermediate Similarity NPD5285 Approved
0.703 Intermediate Similarity NPD4700 Approved
0.7021 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD8035 Phase 2
0.701 Intermediate Similarity NPD8034 Phase 2
0.701 Intermediate Similarity NPD7515 Phase 2
0.7 Intermediate Similarity NPD7902 Approved
0.7 Intermediate Similarity NPD4195 Approved
0.6981 Remote Similarity NPD6373 Approved
0.6981 Remote Similarity NPD6372 Approved
0.6977 Remote Similarity NPD4243 Approved
0.6977 Remote Similarity NPD5777 Approved
0.6961 Remote Similarity NPD5223 Approved
0.6952 Remote Similarity NPD5701 Approved
0.6952 Remote Similarity NPD5697 Approved
0.6952 Remote Similarity NPD6412 Phase 2
0.6947 Remote Similarity NPD3573 Approved
0.6923 Remote Similarity NPD7525 Registered
0.6923 Remote Similarity NPD5141 Approved
0.6923 Remote Similarity NPD4695 Discontinued
0.6916 Remote Similarity NPD6883 Approved
0.6916 Remote Similarity NPD7290 Approved
0.6916 Remote Similarity NPD7102 Approved
0.6893 Remote Similarity NPD4633 Approved
0.6893 Remote Similarity NPD5226 Approved
0.6893 Remote Similarity NPD5225 Approved
0.6893 Remote Similarity NPD5224 Approved
0.6889 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6011 Approved
0.6852 Remote Similarity NPD6650 Approved
0.6852 Remote Similarity NPD8130 Phase 1
0.6852 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6617 Approved
0.6852 Remote Similarity NPD6869 Approved
0.6852 Remote Similarity NPD6649 Approved
0.6852 Remote Similarity NPD6847 Approved
0.6837 Remote Similarity NPD5281 Approved
0.6837 Remote Similarity NPD5284 Approved
0.6827 Remote Similarity NPD4754 Approved
0.6827 Remote Similarity NPD5174 Approved
0.6827 Remote Similarity NPD5175 Approved
0.6822 Remote Similarity NPD6013 Approved
0.6822 Remote Similarity NPD6014 Approved
0.6822 Remote Similarity NPD6012 Approved
0.6818 Remote Similarity NPD4784 Approved
0.6818 Remote Similarity NPD6926 Approved
0.6818 Remote Similarity NPD4785 Approved
0.6818 Remote Similarity NPD6924 Approved
0.68 Remote Similarity NPD5654 Approved
0.6789 Remote Similarity NPD6882 Approved
0.6789 Remote Similarity NPD8297 Approved
0.6789 Remote Similarity NPD6053 Discontinued
0.6783 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6782 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6782 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6771 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4096 Approved
0.6731 Remote Similarity NPD7632 Discontinued
0.6729 Remote Similarity NPD6686 Approved
0.6702 Remote Similarity NPD5362 Discontinued
0.6702 Remote Similarity NPD6695 Phase 3
0.6698 Remote Similarity NPD4767 Approved
0.6698 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD4789 Approved
0.6667 Remote Similarity NPD4244 Approved
0.6667 Remote Similarity NPD5959 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD6933 Approved
0.6667 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4245 Approved
0.6667 Remote Similarity NPD6059 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.6636 Remote Similarity NPD6614 Approved
0.6632 Remote Similarity NPD7338 Clinical (unspecified phase)
0.663 Remote Similarity NPD7645 Phase 2
0.663 Remote Similarity NPD6929 Approved
0.6607 Remote Similarity NPD6868 Approved
0.6602 Remote Similarity NPD4225 Approved
0.66 Remote Similarity NPD5133 Approved
0.6577 Remote Similarity NPD6858 Approved
0.6577 Remote Similarity NPD7094 Approved
0.6574 Remote Similarity NPD5168 Approved
0.6574 Remote Similarity NPD5128 Approved
0.6574 Remote Similarity NPD4730 Approved
0.6574 Remote Similarity NPD4729 Approved
0.6569 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6566 Remote Similarity NPD5785 Approved
0.6562 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6559 Remote Similarity NPD6931 Approved
0.6559 Remote Similarity NPD6930 Phase 2
0.6556 Remote Similarity NPD4190 Phase 3
0.6556 Remote Similarity NPD5275 Approved
0.6552 Remote Similarity NPD6922 Approved
0.6552 Remote Similarity NPD3698 Phase 2
0.6552 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6370 Approved
0.6552 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6923 Approved
0.6538 Remote Similarity NPD6404 Discontinued

Structure

External Identifiers

PubChem CID   53319674
ChEMBL   CHEMBL1668105
ZINC  

Physicochemical Properties

Molecular Weight:  438.35
ALogP:  3.5515
MLogP:  4.54
XLogP:  7.993
# Rotatable Bonds:  9
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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