Natural Product: NPC469696

Natural Product ID:  NPC469696
Common Name:   (5S)-5-Hydroxy-1,7-Bis-(4-Hydroxyphenyl)-3-Heptanone-5-O-[2,6-Bis-O-(B-D-Apiofuranosyl)-B-D-Glucopyranoside]
IUPAC Name:   (5R)-5-[(2R,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
Synonyms:  
Molecular Formula:   C35H48O17
Standard InCHIKey:  BTVWDANIMYMMGY-RISIZWLVSA-N
Standard InCHI:  InChI=1S/C35H48O17/c36-15-34(45)17-48-32(29(34)43)47-14-25-26(41)27(42)28(52-33-30(44)35(46,16-37)18-49-33)31(51-25)50-24(12-6-20-3-9-22(39)10-4-20)13-23(40)11-5-19-1-7-21(38)8-2-19/h1-4,7-10,24-33,36-39,41-46H,5-6,11-18H2/t24-,25-,26-,27+,28-,29+,30-,31-,32-,33-,34-,35+/m1/s1
Canonical SMILES:  OC[C@]1(O)CO[C@@H]([C@H]1O)O[C@H]1[C@H](O[C@@H](CC(=O)CCc2ccc(cc2)O)CCc2ccc(cc2)O)O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@]([C@H]1O)(O)CO
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
NPO4138 Betula platyphylla Species Betulaceae Eukaryota bark PMID[20363129]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition = 11.8 % PubChem BioAssay data set
NPT521 Cell Line RBL-2H3 Rattus norvegicus Inhibition = 23.4 % 18718695

  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 NPC469696 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
0.9692 High Similarity NPC164172
0.9615 High Similarity NPC471095
0.9615 High Similarity NPC471066
0.9462 High Similarity NPC469705
0.9462 High Similarity NPC17968
0.9462 High Similarity NPC470122
0.9308 High Similarity NPC158673
0.9231 High Similarity NPC469687
0.9098 High Similarity NPC476407
0.8923 High Similarity NPC470907
0.8923 High Similarity NPC178449
0.8923 High Similarity NPC232454
0.8857 High Similarity NPC469623
0.8857 High Similarity NPC148080
0.8846 High Similarity NPC471067
0.8832 High Similarity NPC180171
0.8832 High Similarity NPC103398
0.8832 High Similarity NPC158325
0.8692 High Similarity NPC201402
0.8692 High Similarity NPC160854
0.8692 High Similarity NPC469703
0.8692 High Similarity NPC469704
0.8667 High Similarity NPC469549
0.8626 High Similarity NPC469686
0.855 High Similarity NPC469548
0.855 High Similarity NPC476448
0.855 High Similarity NPC476445
0.854 High Similarity NPC478255
0.8531 High Similarity NPC478250
0.8503 High Similarity NPC35097
0.8493 Intermediate Similarity NPC120728
0.8473 Intermediate Similarity NPC469702
0.8473 Intermediate Similarity NPC282409
0.8429 Intermediate Similarity NPC123988
0.8403 Intermediate Similarity NPC40305
0.8369 Intermediate Similarity NPC471345
0.8367 Intermediate Similarity NPC473138
0.8367 Intermediate Similarity NPC28776
0.8333 Intermediate Similarity NPC87403
0.8321 Intermediate Similarity NPC225307
0.831 Intermediate Similarity NPC310252
0.831 Intermediate Similarity NPC100558
0.831 Intermediate Similarity NPC84789
0.831 Intermediate Similarity NPC302583
0.8288 Intermediate Similarity NPC475528
0.8286 Intermediate Similarity NPC28637
0.8284 Intermediate Similarity NPC469927
0.8278 Intermediate Similarity NPC160882
0.8273 Intermediate Similarity NPC281798
0.8267 Intermediate Similarity NPC106818
0.8248 Intermediate Similarity NPC288416
0.8248 Intermediate Similarity NPC264900
0.8248 Intermediate Similarity NPC79715
0.8248 Intermediate Similarity NPC231607
0.8248 Intermediate Similarity NPC108659
0.8235 Intermediate Similarity NPC123704
0.8231 Intermediate Similarity NPC143246
0.8231 Intermediate Similarity NPC475539
0.8231 Intermediate Similarity NPC119773
0.8231 Intermediate Similarity NPC212808
0.8231 Intermediate Similarity NPC474268
0.8222 Intermediate Similarity NPC236981
0.8219 Intermediate Similarity NPC194938
0.8209 Intermediate Similarity NPC55608
0.8176 Intermediate Similarity NPC470330
0.8175 Intermediate Similarity NPC94179
0.817 Intermediate Similarity NPC478055
0.8169 Intermediate Similarity NPC263829
0.8168 Intermediate Similarity NPC148055
0.8154 Intermediate Similarity NPC157338
0.8151 Intermediate Similarity NPC105005
0.8143 Intermediate Similarity NPC46137
0.8143 Intermediate Similarity NPC235294
0.8129 Intermediate Similarity NPC184092
0.8125 Intermediate Similarity NPC62800
0.8125 Intermediate Similarity NPC171134
0.8125 Intermediate Similarity NPC321184
0.8125 Intermediate Similarity NPC321638
0.8125 Intermediate Similarity NPC328273
0.8125 Intermediate Similarity NPC324262
0.8121 Intermediate Similarity NPC116229
0.8116 Intermediate Similarity NPC45224
0.8116 Intermediate Similarity NPC103533
0.8116 Intermediate Similarity NPC471882
0.8116 Intermediate Similarity NPC156692
0.8116 Intermediate Similarity NPC35288
0.8116 Intermediate Similarity NPC173150
0.8116 Intermediate Similarity NPC471881
0.8108 Intermediate Similarity NPC473147
0.8102 Intermediate Similarity NPC90318
0.8099 Intermediate Similarity NPC169398
0.8095 Intermediate Similarity NPC296659
0.8095 Intermediate Similarity NPC300894
0.8095 Intermediate Similarity NPC141455
0.8095 Intermediate Similarity NPC196063
0.8095 Intermediate Similarity NPC63304
0.8095 Intermediate Similarity NPC296954
0.8095 Intermediate Similarity NPC202391
0.8079 Intermediate Similarity NPC474620
0.8056 Intermediate Similarity NPC469364
0.8056 Intermediate Similarity NPC101686
0.8056 Intermediate Similarity NPC65262
0.8052 Intermediate Similarity NPC149368
0.8052 Intermediate Similarity NPC265480
0.8043 Intermediate Similarity NPC61181
0.8043 Intermediate Similarity NPC252114
0.8041 Intermediate Similarity NPC210330
0.8025 Intermediate Similarity NPC471850
0.8014 Intermediate Similarity NPC246869
0.8014 Intermediate Similarity NPC138777
0.8014 Intermediate Similarity NPC225384
0.8013 Intermediate Similarity NPC200708
0.8 Intermediate Similarity NPC122809
0.8 Intermediate Similarity NPC11025
0.7987 Intermediate Similarity NPC131532
0.7987 Intermediate Similarity NPC186316
0.7987 Intermediate Similarity NPC229505
0.7987 Intermediate Similarity NPC38699
0.7986 Intermediate Similarity NPC106677
0.7986 Intermediate Similarity NPC472132
0.7974 Intermediate Similarity NPC299706
0.7974 Intermediate Similarity NPC121001
0.7974 Intermediate Similarity NPC245615
0.7974 Intermediate Similarity NPC259182
0.7974 Intermediate Similarity NPC61604
0.7974 Intermediate Similarity NPC115466
0.7974 Intermediate Similarity NPC257847
0.7973 Intermediate Similarity NPC84181
0.7971 Intermediate Similarity NPC83218
0.7971 Intermediate Similarity NPC126991
0.7962 Intermediate Similarity NPC471858
0.7958 Intermediate Similarity NPC254275
0.7947 Intermediate Similarity NPC287294
0.7935 Intermediate Similarity NPC163635
0.7931 Intermediate Similarity NPC308976
0.7929 Intermediate Similarity NPC148982
0.7927 Intermediate Similarity NPC241196
0.7923 Intermediate Similarity NPC177576
0.7922 Intermediate Similarity NPC106625
0.7922 Intermediate Similarity NPC476194
0.7919 Intermediate Similarity NPC18979
0.7914 Intermediate Similarity NPC471157
0.7905 Intermediate Similarity NPC477898
0.7905 Intermediate Similarity NPC293154
0.7898 Intermediate Similarity NPC130489
0.7898 Intermediate Similarity NPC208676
0.7895 Intermediate Similarity NPC240592
0.7895 Intermediate Similarity NPC475224
0.7895 Intermediate Similarity NPC175771
0.7895 Intermediate Similarity NPC301651
0.7895 Intermediate Similarity NPC117346
0.7895 Intermediate Similarity NPC229882
0.7895 Intermediate Similarity NPC473556
0.7895 Intermediate Similarity NPC12006
0.7895 Intermediate Similarity NPC158635
0.7891 Intermediate Similarity NPC476377
0.7891 Intermediate Similarity NPC47471
0.7883 Intermediate Similarity NPC52097
0.7881 Intermediate Similarity NPC472339
0.7879 Intermediate Similarity NPC313193
0.7877 Intermediate Similarity NPC205195
0.7877 Intermediate Similarity NPC220942
0.7877 Intermediate Similarity NPC156376
0.7875 Intermediate Similarity NPC469419
0.7871 Intermediate Similarity NPC26195
0.7871 Intermediate Similarity NPC169248
0.7871 Intermediate Similarity NPC99233
0.7871 Intermediate Similarity NPC39351
0.7871 Intermediate Similarity NPC72649
0.7871 Intermediate Similarity NPC97052
0.7867 Intermediate Similarity NPC291153
0.7867 Intermediate Similarity NPC320734
0.7867 Intermediate Similarity NPC112861
0.7862 Intermediate Similarity NPC470572
0.7857 Intermediate Similarity NPC259767
0.7857 Intermediate Similarity NPC88484
0.7852 Intermediate Similarity NPC251062
0.7852 Intermediate Similarity NPC184464
0.7848 Intermediate Similarity NPC477627
0.7847 Intermediate Similarity NPC34293
0.7847 Intermediate Similarity NPC886
0.7847 Intermediate Similarity NPC287597
0.7847 Intermediate Similarity NPC471029
0.7846 Intermediate Similarity NPC321252
0.7846 Intermediate Similarity NPC252544
0.7834 Intermediate Similarity NPC469654
0.7829 Intermediate Similarity NPC478242
0.7829 Intermediate Similarity NPC96599
0.7826 Intermediate Similarity NPC471859
0.7823 Intermediate Similarity NPC475530
0.7823 Intermediate Similarity NPC473799
0.7821 Intermediate Similarity NPC170475
0.7821 Intermediate Similarity NPC127406
0.7821 Intermediate Similarity NPC475378
0.7821 Intermediate Similarity NPC206378
0.781 Intermediate Similarity NPC266045
0.781 Intermediate Similarity NPC11724
0.7808 Intermediate Similarity NPC260425
0.7806 Intermediate Similarity NPC39360
0.7806 Intermediate Similarity NPC29763

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469696 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
0.7771 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD7266 Discontinued
0.7692 Intermediate Similarity NPD8455 Phase 2
0.7561 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD7228 Approved
0.7425 Intermediate Similarity NPD6559 Discontinued
0.741 Intermediate Similarity NPD7472 Approved
0.741 Intermediate Similarity NPD7074 Phase 3
0.7391 Intermediate Similarity NPD6234 Discontinued
0.7389 Intermediate Similarity NPD4380 Phase 2
0.7381 Intermediate Similarity NPD7808 Phase 3
0.7375 Intermediate Similarity NPD4966 Approved
0.7375 Intermediate Similarity NPD4967 Phase 2
0.7375 Intermediate Similarity NPD4965 Approved
0.7349 Intermediate Similarity NPD7054 Approved
0.7321 Intermediate Similarity NPD7251 Discontinued
0.732 Intermediate Similarity NPD6190 Approved
0.7262 Intermediate Similarity NPD6797 Phase 2
0.7235 Intermediate Similarity NPD8313 Approved
0.7235 Intermediate Similarity NPD8312 Approved
0.7226 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7240 Approved
0.72 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD37 Approved
0.7183 Intermediate Similarity NPD1091 Approved
0.7152 Intermediate Similarity NPD7033 Discontinued
0.7151 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD7685 Pre-registration
0.7117 Intermediate Similarity NPD7075 Discontinued
0.7114 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD3764 Approved
0.7076 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD5058 Phase 3
0.7047 Intermediate Similarity NPD6233 Phase 2
0.7045 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD5125 Phase 3
0.7042 Intermediate Similarity NPD5126 Approved
0.7013 Intermediate Similarity NPD1549 Phase 2
0.6988 Remote Similarity NPD7199 Phase 2
0.698 Remote Similarity NPD6798 Discontinued
0.6975 Remote Similarity NPD1934 Approved
0.6974 Remote Similarity NPD7097 Phase 1
0.6954 Remote Similarity NPD6355 Discontinued
0.6946 Remote Similarity NPD3787 Discontinued
0.6933 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6933 Remote Similarity NPD6663 Approved
0.6933 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4628 Phase 3
0.6923 Remote Similarity NPD3400 Discontinued
0.689 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6875 Remote Similarity NPD5403 Approved
0.6871 Remote Similarity NPD6801 Discontinued
0.6867 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6166 Phase 2
0.6864 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6864 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1510 Phase 2
0.6815 Remote Similarity NPD5048 Discontinued
0.6805 Remote Similarity NPD7184 Clinical (unspecified phase)
0.68 Remote Similarity NPD3027 Phase 3
0.6784 Remote Similarity NPD3751 Discontinued
0.6779 Remote Similarity NPD5736 Approved
0.6776 Remote Similarity NPD1613 Approved
0.6776 Remote Similarity NPD1612 Clinical (unspecified phase)
0.677 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6758 Remote Similarity NPD7700 Phase 2
0.6758 Remote Similarity NPD7699 Phase 2
0.6757 Remote Similarity NPD7680 Approved
0.675 Remote Similarity NPD5401 Approved
0.675 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6747 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6728 Remote Similarity NPD1653 Approved
0.6727 Remote Similarity NPD7819 Suspended
0.6723 Remote Similarity NPD8434 Phase 2
0.6721 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6718 Remote Similarity NPD2859 Approved
0.6718 Remote Similarity NPD2860 Approved
0.6714 Remote Similarity NPD7843 Approved
0.6711 Remote Similarity NPD5647 Approved
0.6711 Remote Similarity NPD4062 Phase 3
0.671 Remote Similarity NPD5588 Approved
0.6709 Remote Similarity NPD8166 Discontinued
0.6707 Remote Similarity NPD7411 Suspended
0.669 Remote Similarity NPD2932 Approved
0.669 Remote Similarity NPD3019 Approved
0.6687 Remote Similarity NPD6799 Approved
0.6687 Remote Similarity NPD5402 Approved
0.6686 Remote Similarity NPD7799 Discontinued
0.6685 Remote Similarity NPD6535 Approved
0.6685 Remote Similarity NPD6534 Approved
0.6667 Remote Similarity NPD943 Approved
0.6667 Remote Similarity NPD2861 Phase 2
0.6667 Remote Similarity NPD1240 Approved
0.6667 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9545 Approved
0.6648 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6647 Remote Similarity NPD3882 Suspended
0.6646 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6644 Remote Similarity NPD3094 Phase 2
0.6643 Remote Similarity NPD969 Suspended
0.6641 Remote Similarity NPD2934 Approved
0.6641 Remote Similarity NPD2933 Approved
0.6631 Remote Similarity NPD8320 Phase 1
0.6631 Remote Similarity NPD8319 Approved
0.6629 Remote Similarity NPD8150 Discontinued
0.6627 Remote Similarity NPD2801 Approved
0.6624 Remote Similarity NPD6002 Phase 3
0.6624 Remote Similarity NPD6005 Phase 3
0.6624 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6624 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6624 Remote Similarity NPD6004 Phase 3
0.662 Remote Similarity NPD2629 Approved
0.6613 Remote Similarity NPD6823 Phase 2
0.661 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6606 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6604 Remote Similarity NPD2575 Approved
0.6604 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6599 Remote Similarity NPD1201 Approved
0.6599 Remote Similarity NPD1535 Discovery
0.6595 Remote Similarity NPD6779 Approved
0.6595 Remote Similarity NPD6782 Approved
0.6595 Remote Similarity NPD6780 Approved
0.6595 Remote Similarity NPD6781 Approved
0.6595 Remote Similarity NPD6778 Approved
0.6595 Remote Similarity NPD6776 Approved
0.6595 Remote Similarity NPD6777 Approved
0.6587 Remote Similarity NPD3817 Phase 2
0.6585 Remote Similarity NPD7458 Discontinued
0.6584 Remote Similarity NPD1511 Approved
0.6582 Remote Similarity NPD2424 Discontinued
0.6581 Remote Similarity NPD1607 Approved
0.658 Remote Similarity NPD7930 Approved
0.6579 Remote Similarity NPD7095 Approved
0.6578 Remote Similarity NPD7697 Approved
0.6578 Remote Similarity NPD7698 Approved
0.6578 Remote Similarity NPD7435 Discontinued
0.6578 Remote Similarity NPD7696 Phase 3
0.6575 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6567 Remote Similarity NPD3020 Approved
0.6561 Remote Similarity NPD2935 Discontinued
0.6561 Remote Similarity NPD2796 Approved
0.6561 Remote Similarity NPD9570 Approved
0.6561 Remote Similarity NPD7584 Approved
0.6558 Remote Similarity NPD6311 Approved
0.6558 Remote Similarity NPD6310 Approved
0.6558 Remote Similarity NPD6309 Approved
0.6554 Remote Similarity NPD1481 Phase 2
0.6552 Remote Similarity NPD1894 Discontinued
0.6548 Remote Similarity NPD7768 Phase 2
0.6545 Remote Similarity NPD6599 Discontinued
0.6545 Remote Similarity NPD7028 Phase 2
0.6543 Remote Similarity NPD7871 Phase 2
0.6543 Remote Similarity NPD7870 Phase 2
0.6541 Remote Similarity NPD6674 Discontinued
0.6538 Remote Similarity NPD4536 Approved
0.6538 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6538 Remote Similarity NPD4538 Approved
0.6533 Remote Similarity NPD1470 Approved
0.6526 Remote Similarity NPD7701 Phase 2
0.6513 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6513 Remote Similarity NPD4908 Phase 1
0.6509 Remote Similarity NPD3749 Approved
0.6508 Remote Similarity NPD7999 Approved
0.6503 Remote Similarity NPD1512 Approved
0.65 Remote Similarity NPD3021 Approved
0.65 Remote Similarity NPD3022 Approved
0.65 Remote Similarity NPD3750 Approved
0.6497 Remote Similarity NPD5960 Phase 3
0.6492 Remote Similarity NPD8151 Discontinued
0.649 Remote Similarity NPD2798 Approved
0.6486 Remote Similarity NPD1610 Phase 2
0.6486 Remote Similarity NPD3092 Approved
0.6486 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6486 Remote Similarity NPD3705 Approved
0.6478 Remote Similarity NPD5958 Discontinued
0.6474 Remote Similarity NPD6653 Approved
0.6474 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6458 Remote Similarity NPD7874 Approved
0.6458 Remote Similarity NPD7157 Approved
0.6458 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6456 Remote Similarity NPD6100 Approved
0.6456 Remote Similarity NPD5404 Approved
0.6456 Remote Similarity NPD5405 Approved
0.6456 Remote Similarity NPD5408 Approved
0.6456 Remote Similarity NPD5406 Approved
0.6456 Remote Similarity NPD6099 Approved
0.6448 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6448 Remote Similarity NPD6212 Phase 3
0.6448 Remote Similarity NPD6213 Phase 3
0.6447 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6444 Remote Similarity NPD7798 Approved
0.6442 Remote Similarity NPD7422 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   46889109
ChEMBL   CHEMBL1099359
ZINC  

Physicochemical Properties

Molecular Weight:  740.29
ALogP:  -6.353
MLogP:  3.44
XLogP:  -0.489
# Rotatable Bonds:  27
Polar Surface Area:  274.75
# H-Bond Aceptor:  15
# H-Bond Donor:  10
# Rings:  5
# Heavy Atoms:  52

Download Data

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