Natural Product: NPC89317

Natural Product ID:  NPC89317
Common Name:   Lactucain C
IUPAC Name:   [(3S,3aR,4S,9aS,9bR)-4-[[(3aR,4S,9aS,9bR)-9-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-6-methyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl]oxy]-3,6-dimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[8,7-b]furan-9-yl]methyl 2-(4-hydroxyphenyl)acetate
Synonyms:   Lactucain C
Molecular Formula:   C46H44O13
Standard InCHIKey:  OTYHDULWLBXHKM-DCGOLSQASA-N
Standard InCHI:  InChI=1S/C46H44O13/c1-21-13-33(39-23(3)45(53)58-43(39)41-27(17-31(49)37(21)41)19-55-35(51)15-25-5-9-29(47)10-6-25)57-34-14-22(2)38-32(50)18-28(42(38)44-40(34)24(4)46(54)59-44)20-56-36(52)16-26-7-11-30(48)12-8-26/h5-12,17-18,24,33-34,39-44,47-48H,3,13-16,19-20H2,1-2,4H3/t24-,33-,34-,39+,40+,41-,42-,43-,44-/m0/s1
Canonical SMILES:  O=C(Cc1ccc(cc1)O)OCC1=CC(=O)C2=C(C)C[C@@H]([C@@H]3[C@@H]([C@@H]12)OC(=O)[C@H]3C)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)C(=CC2=O)COC(=O)Cc1ccc(cc1)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
NPO23670 Lactuca indica Species Asteraceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT29 Organism Rattus norvegicus Rattus norvegicus Activity = -22.74 % 12762795

  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 NPC89317 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
0.8105 Intermediate Similarity NPC35097
0.8099 Intermediate Similarity NPC214246
0.8092 Intermediate Similarity NPC120728
0.8079 Intermediate Similarity NPC473147
0.8013 Intermediate Similarity NPC210330
0.7947 Intermediate Similarity NPC194938
0.7943 Intermediate Similarity NPC137416
0.7877 Intermediate Similarity NPC472591
0.7868 Intermediate Similarity NPC128249
0.7862 Intermediate Similarity NPC108553
0.7847 Intermediate Similarity NPC194979
0.781 Intermediate Similarity NPC325295
0.781 Intermediate Similarity NPC76308
0.7785 Intermediate Similarity NPC170718
0.7785 Intermediate Similarity NPC308976
0.7756 Intermediate Similarity NPC35160
0.7756 Intermediate Similarity NPC162569
0.7733 Intermediate Similarity NPC234548
0.7733 Intermediate Similarity NPC248287
0.7727 Intermediate Similarity NPC208293
0.7712 Intermediate Similarity NPC32
0.7712 Intermediate Similarity NPC296659
0.7712 Intermediate Similarity NPC122491
0.7712 Intermediate Similarity NPC202391
0.7703 Intermediate Similarity NPC194970
0.7687 Intermediate Similarity NPC327204
0.7687 Intermediate Similarity NPC323379
0.7682 Intermediate Similarity NPC256162
0.7682 Intermediate Similarity NPC59775
0.7676 Intermediate Similarity NPC236981
0.7667 Intermediate Similarity NPC216940
0.7667 Intermediate Similarity NPC22676
0.7667 Intermediate Similarity NPC198621
0.7667 Intermediate Similarity NPC475482
0.7664 Intermediate Similarity NPC23402
0.7655 Intermediate Similarity NPC469930
0.7651 Intermediate Similarity NPC173569
0.7651 Intermediate Similarity NPC477874
0.7643 Intermediate Similarity NPC267469
0.7643 Intermediate Similarity NPC116292
0.7643 Intermediate Similarity NPC179128
0.7643 Intermediate Similarity NPC87630
0.7639 Intermediate Similarity NPC204579
0.7632 Intermediate Similarity NPC469911
0.7632 Intermediate Similarity NPC472801
0.7622 Intermediate Similarity NPC474532
0.7619 Intermediate Similarity NPC318799
0.761 Intermediate Similarity NPC257847
0.7607 Intermediate Similarity NPC471858
0.7606 Intermediate Similarity NPC68167
0.7606 Intermediate Similarity NPC469927
0.76 Intermediate Similarity NPC90431
0.76 Intermediate Similarity NPC249817
0.7584 Intermediate Similarity NPC106406
0.7582 Intermediate Similarity NPC95449
0.758 Intermediate Similarity NPC96599
0.758 Intermediate Similarity NPC161955
0.7574 Intermediate Similarity NPC17693
0.7569 Intermediate Similarity NPC49938
0.7564 Intermediate Similarity NPC202112
0.7564 Intermediate Similarity NPC51513
0.7561 Intermediate Similarity NPC471850
0.7556 Intermediate Similarity NPC183700
0.7552 Intermediate Similarity NPC14141
0.755 Intermediate Similarity NPC67349
0.755 Intermediate Similarity NPC279676
0.7548 Intermediate Similarity NPC223185
0.7547 Intermediate Similarity NPC267091
0.7546 Intermediate Similarity NPC218471
0.7546 Intermediate Similarity NPC239818
0.7536 Intermediate Similarity NPC322197
0.7534 Intermediate Similarity NPC2596
0.7534 Intermediate Similarity NPC79332
0.7533 Intermediate Similarity NPC182217
0.7533 Intermediate Similarity NPC233350
0.7533 Intermediate Similarity NPC70680
0.7532 Intermediate Similarity NPC478250
0.7532 Intermediate Similarity NPC240592
0.7532 Intermediate Similarity NPC117346
0.7517 Intermediate Similarity NPC471749
0.7517 Intermediate Similarity NPC477281
0.7517 Intermediate Similarity NPC477280
0.7517 Intermediate Similarity NPC110211
0.7517 Intermediate Similarity NPC19719
0.7516 Intermediate Similarity NPC51181
0.7516 Intermediate Similarity NPC9218
0.7516 Intermediate Similarity NPC172311
0.7516 Intermediate Similarity NPC159692
0.7516 Intermediate Similarity NPC100675
0.7516 Intermediate Similarity NPC81835
0.75 Intermediate Similarity NPC220936
0.75 Intermediate Similarity NPC143246
0.75 Intermediate Similarity NPC471033
0.75 Intermediate Similarity NPC119773
0.75 Intermediate Similarity NPC474268
0.75 Intermediate Similarity NPC475539
0.75 Intermediate Similarity NPC31745
0.75 Intermediate Similarity NPC7012
0.75 Intermediate Similarity NPC288945
0.75 Intermediate Similarity NPC311091
0.7485 Intermediate Similarity NPC76211
0.7484 Intermediate Similarity NPC243891
0.7484 Intermediate Similarity NPC474692
0.7484 Intermediate Similarity NPC25491
0.7484 Intermediate Similarity NPC474620
0.7484 Intermediate Similarity NPC183824
0.7483 Intermediate Similarity NPC288290
0.7468 Intermediate Similarity NPC473719
0.7468 Intermediate Similarity NPC279442
0.7467 Intermediate Similarity NPC176814
0.7467 Intermediate Similarity NPC68779
0.7467 Intermediate Similarity NPC5310
0.7467 Intermediate Similarity NPC68517
0.7467 Intermediate Similarity NPC4982
0.7467 Intermediate Similarity NPC300776
0.7464 Intermediate Similarity NPC285350
0.7452 Intermediate Similarity NPC472936
0.7452 Intermediate Similarity NPC472937
0.7452 Intermediate Similarity NPC472938
0.7451 Intermediate Similarity NPC156709
0.7451 Intermediate Similarity NPC471875
0.7451 Intermediate Similarity NPC179505
0.7448 Intermediate Similarity NPC79608
0.7442 Intermediate Similarity NPC108191
0.7442 Intermediate Similarity NPC93685
0.7439 Intermediate Similarity NPC208676
0.7439 Intermediate Similarity NPC130489
0.7438 Intermediate Similarity NPC476434
0.7438 Intermediate Similarity NPC270268
0.7436 Intermediate Similarity NPC53520
0.7436 Intermediate Similarity NPC475528
0.7434 Intermediate Similarity NPC471152
0.7429 Intermediate Similarity NPC476266
0.7426 Intermediate Similarity NPC63345
0.7421 Intermediate Similarity NPC327962
0.7421 Intermediate Similarity NPC472939
0.7419 Intermediate Similarity NPC285550
0.7419 Intermediate Similarity NPC293154
0.7419 Intermediate Similarity NPC186296
0.7417 Intermediate Similarity NPC113295
0.7415 Intermediate Similarity NPC217431
0.7415 Intermediate Similarity NPC473744
0.741 Intermediate Similarity NPC471861
0.7407 Intermediate Similarity NPC203757
0.7407 Intermediate Similarity NPC31274
0.7407 Intermediate Similarity NPC254163
0.7405 Intermediate Similarity NPC325032
0.7405 Intermediate Similarity NPC473428
0.7405 Intermediate Similarity NPC477483
0.7403 Intermediate Similarity NPC27518
0.7403 Intermediate Similarity NPC275903
0.7403 Intermediate Similarity NPC282291
0.7403 Intermediate Similarity NPC304110
0.7403 Intermediate Similarity NPC477279
0.7403 Intermediate Similarity NPC166137
0.74 Intermediate Similarity NPC155209
0.74 Intermediate Similarity NPC18982
0.74 Intermediate Similarity NPC475468
0.74 Intermediate Similarity NPC168799
0.74 Intermediate Similarity NPC475627
0.74 Intermediate Similarity NPC475346
0.74 Intermediate Similarity NPC475457
0.7397 Intermediate Similarity NPC471930
0.7397 Intermediate Similarity NPC471935
0.7397 Intermediate Similarity NPC471929
0.7391 Intermediate Similarity NPC308555
0.7389 Intermediate Similarity NPC30890
0.7389 Intermediate Similarity NPC3982
0.7389 Intermediate Similarity NPC66894
0.7389 Intermediate Similarity NPC8102
0.7389 Intermediate Similarity NPC320734
0.7386 Intermediate Similarity NPC283560
0.7386 Intermediate Similarity NPC162613
0.7386 Intermediate Similarity NPC87934
0.7386 Intermediate Similarity NPC24295
0.7383 Intermediate Similarity NPC15083
0.7383 Intermediate Similarity NPC470976
0.7383 Intermediate Similarity NPC196979
0.7383 Intermediate Similarity NPC470977
0.7383 Intermediate Similarity NPC125153
0.7381 Intermediate Similarity NPC471860
0.7381 Intermediate Similarity NPC118086
0.7381 Intermediate Similarity NPC471859
0.7379 Intermediate Similarity NPC265413
0.7379 Intermediate Similarity NPC10154
0.7376 Intermediate Similarity NPC249435
0.7375 Intermediate Similarity NPC158546
0.7375 Intermediate Similarity NPC289021
0.7372 Intermediate Similarity NPC134131
0.7372 Intermediate Similarity NPC139946
0.7372 Intermediate Similarity NPC63304
0.7372 Intermediate Similarity NPC473281
0.7372 Intermediate Similarity NPC25043
0.7372 Intermediate Similarity NPC77922
0.7372 Intermediate Similarity NPC304956
0.7368 Intermediate Similarity NPC475955
0.7368 Intermediate Similarity NPC471345
0.7368 Intermediate Similarity NPC223616
0.7368 Intermediate Similarity NPC474726
0.7361 Intermediate Similarity NPC132518

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC89317 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
0.7551 Intermediate Similarity NPD3764 Approved
0.7442 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD6663 Approved
0.7368 Intermediate Similarity NPD2799 Discontinued
0.7355 Intermediate Similarity NPD8166 Discontinued
0.7285 Intermediate Similarity NPD6355 Discontinued
0.7254 Intermediate Similarity NPD9545 Approved
0.7244 Intermediate Similarity NPD4628 Phase 3
0.723 Intermediate Similarity NPD5736 Approved
0.7208 Intermediate Similarity NPD2935 Discontinued
0.72 Intermediate Similarity NPD3268 Approved
0.7197 Intermediate Similarity NPD6190 Approved
0.7162 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD2797 Approved
0.707 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD2344 Approved
0.703 Intermediate Similarity NPD7819 Suspended
0.7027 Intermediate Similarity NPD1876 Approved
0.7019 Intermediate Similarity NPD6273 Approved
0.7006 Intermediate Similarity NPD7075 Discontinued
0.7 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7458 Discontinued
0.6988 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6974 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6964 Remote Similarity NPD6234 Discontinued
0.6954 Remote Similarity NPD6832 Phase 2
0.6948 Remote Similarity NPD230 Phase 1
0.6946 Remote Similarity NPD4965 Approved
0.6946 Remote Similarity NPD4967 Phase 2
0.6946 Remote Similarity NPD4966 Approved
0.6943 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6004 Phase 3
0.6943 Remote Similarity NPD6005 Phase 3
0.6943 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6002 Phase 3
0.6943 Remote Similarity NPD7266 Discontinued
0.6929 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6233 Phase 2
0.6918 Remote Similarity NPD3750 Approved
0.6918 Remote Similarity NPD2932 Approved
0.6918 Remote Similarity NPD3019 Approved
0.6914 Remote Similarity NPD7685 Pre-registration
0.6913 Remote Similarity NPD1283 Approved
0.6912 Remote Similarity NPD6647 Phase 2
0.6892 Remote Similarity NPD1481 Phase 2
0.6892 Remote Similarity NPD1608 Approved
0.6892 Remote Similarity NPD3972 Approved
0.6883 Remote Similarity NPD2979 Phase 3
0.6879 Remote Similarity NPD2438 Suspended
0.6875 Remote Similarity NPD9493 Approved
0.6875 Remote Similarity NPD2309 Approved
0.6867 Remote Similarity NPD3266 Approved
0.6867 Remote Similarity NPD3267 Approved
0.6867 Remote Similarity NPD1164 Approved
0.6863 Remote Similarity NPD6798 Discontinued
0.6863 Remote Similarity NPD2313 Discontinued
0.6848 Remote Similarity NPD4380 Phase 2
0.6845 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7768 Phase 2
0.6832 Remote Similarity NPD7236 Approved
0.6826 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6824 Remote Similarity NPD1535 Discovery
0.6821 Remote Similarity NPD2798 Approved
0.6821 Remote Similarity NPD5647 Approved
0.6818 Remote Similarity NPD8032 Phase 2
0.6815 Remote Similarity NPD1510 Phase 2
0.6815 Remote Similarity NPD3020 Approved
0.6813 Remote Similarity NPD7003 Approved
0.6807 Remote Similarity NPD7411 Suspended
0.6797 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6795 Remote Similarity NPD6653 Approved
0.6792 Remote Similarity NPD1549 Phase 2
0.6784 Remote Similarity NPD8127 Discontinued
0.6783 Remote Similarity NPD1241 Discontinued
0.6782 Remote Similarity NPD7228 Approved
0.6781 Remote Similarity NPD1894 Discontinued
0.6774 Remote Similarity NPD1240 Approved
0.6774 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6772 Remote Similarity NPD4477 Approved
0.6772 Remote Similarity NPD4476 Approved
0.6766 Remote Similarity NPD37 Approved
0.6763 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6757 Remote Similarity NPD3847 Discontinued
0.6755 Remote Similarity NPD1203 Approved
0.6755 Remote Similarity NPD6362 Approved
0.6752 Remote Similarity NPD7097 Phase 1
0.6748 Remote Similarity NPD2532 Approved
0.6748 Remote Similarity NPD2534 Approved
0.6748 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6748 Remote Similarity NPD2533 Approved
0.6748 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6739 Remote Similarity NPD5909 Discontinued
0.673 Remote Similarity NPD2346 Discontinued
0.673 Remote Similarity NPD1552 Clinical (unspecified phase)
0.673 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7440 Discontinued
0.6727 Remote Similarity NPD7239 Suspended
0.6724 Remote Similarity NPD7473 Discontinued
0.6722 Remote Similarity NPD8434 Phase 2
0.6714 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6711 Remote Similarity NPD1281 Approved
0.671 Remote Similarity NPD4062 Phase 3
0.6709 Remote Similarity NPD7033 Discontinued
0.6709 Remote Similarity NPD4308 Phase 3
0.6708 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6708 Remote Similarity NPD4110 Phase 3
0.6708 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6706 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6706 Remote Similarity NPD3749 Approved
0.6689 Remote Similarity NPD17 Approved
0.6688 Remote Similarity NPD1607 Approved
0.6687 Remote Similarity NPD6799 Approved
0.6687 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6687 Remote Similarity NPD970 Clinical (unspecified phase)
0.6687 Remote Similarity NPD5958 Discontinued
0.6687 Remote Similarity NPD3455 Phase 2
0.6687 Remote Similarity NPD3226 Approved
0.6686 Remote Similarity NPD3818 Discontinued
0.6667 Remote Similarity NPD4060 Phase 1
0.6667 Remote Similarity NPD2182 Approved
0.6667 Remote Similarity NPD6801 Discontinued
0.6667 Remote Similarity NPD2796 Approved
0.6667 Remote Similarity NPD3887 Approved
0.6667 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6647 Remote Similarity NPD6599 Discontinued
0.6647 Remote Similarity NPD3882 Suspended
0.6643 Remote Similarity NPD3134 Approved
0.663 Remote Similarity NPD8150 Discontinued
0.6627 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6627 Remote Similarity NPD8455 Phase 2
0.6623 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6622 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6622 Remote Similarity NPD5585 Approved
0.6621 Remote Similarity NPD2629 Approved
0.6621 Remote Similarity NPD690 Clinical (unspecified phase)
0.662 Remote Similarity NPD2067 Discontinued
0.6607 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6605 Remote Similarity NPD3400 Discontinued
0.6605 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6604 Remote Similarity NPD3748 Approved
0.6601 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6601 Remote Similarity NPD6085 Phase 2
0.6593 Remote Similarity NPD2859 Approved
0.6593 Remote Similarity NPD2860 Approved
0.659 Remote Similarity NPD7199 Phase 2
0.6584 Remote Similarity NPD2424 Discontinued
0.6584 Remote Similarity NPD4534 Discontinued
0.6581 Remote Similarity NPD7095 Approved
0.6569 Remote Similarity NPD2066 Phase 3
0.6568 Remote Similarity NPD1934 Approved
0.6566 Remote Similarity NPD920 Approved
0.6564 Remote Similarity NPD2354 Approved
0.6562 Remote Similarity NPD2531 Phase 2
0.6562 Remote Similarity NPD5408 Approved
0.6562 Remote Similarity NPD5406 Approved
0.6562 Remote Similarity NPD5404 Approved
0.6562 Remote Similarity NPD5405 Approved
0.6562 Remote Similarity NPD1551 Phase 2
0.6561 Remote Similarity NPD4140 Approved
0.6561 Remote Similarity NPD943 Approved
0.6558 Remote Similarity NPD2861 Phase 2
0.6557 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6556 Remote Similarity NPD8312 Approved
0.6556 Remote Similarity NPD8313 Approved
0.6556 Remote Similarity NPD9717 Approved
0.6554 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6552 Remote Similarity NPD6232 Discontinued
0.6552 Remote Similarity NPD6808 Phase 2
0.6552 Remote Similarity NPD7229 Phase 3
0.6547 Remote Similarity NPD1929 Approved
0.6547 Remote Similarity NPD1930 Approved
0.6547 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6545 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6536 Remote Similarity NPD1470 Approved
0.6536 Remote Similarity NPD6559 Discontinued
0.6533 Remote Similarity NPD3496 Discontinued
0.6533 Remote Similarity NPD3026 Approved
0.6533 Remote Similarity NPD3023 Approved
0.6532 Remote Similarity NPD5494 Approved
0.6527 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6519 Remote Similarity NPD2934 Approved
0.6519 Remote Similarity NPD4622 Approved
0.6519 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6519 Remote Similarity NPD4618 Approved
0.6519 Remote Similarity NPD2933 Approved
0.6516 Remote Similarity NPD2614 Approved
0.6514 Remote Similarity NPD7184 Clinical (unspecified phase)
0.651 Remote Similarity NPD1651 Approved
0.651 Remote Similarity NPD3024 Approved
0.651 Remote Similarity NPD3025 Approved
0.6503 Remote Similarity NPD3022 Approved
0.6503 Remote Similarity NPD3021 Approved
0.65 Remote Similarity NPD1509 Clinical (unspecified phase)
0.65 Remote Similarity NPD1237 Approved
0.65 Remote Similarity NPD7305 Phase 1
0.6497 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6491 Remote Similarity NPD3817 Phase 2
0.6491 Remote Similarity NPD5402 Approved

Structure

External Identifiers

PubChem CID   6918760
ChEMBL   CHEMBL449191
ZINC  

Physicochemical Properties

Molecular Weight:  804.28
ALogP:  -0.2498
MLogP:  5.09
XLogP:  1.884
# Rotatable Bonds:  17
Polar Surface Area:  189.03
# H-Bond Aceptor:  11
# H-Bond Donor:  2
# Rings:  8
# Heavy Atoms:  59

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs