Natural Product: NPC471858

Natural Product ID:  NPC471858
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C47H54O9
Standard InCHIKey:  CLCXRRVKUUZMJY-PNEVFRQPSA-N
Standard InCHI:  InChI=1S/C47H54O9/c1-41(55-39(51)21-34(49)28-10-12-31(48)13-11-28)24-47(54-26-41)23-32(40(52)56-47)33-15-19-46-25-45(33,46)18-16-36-42(2)17-14-30-20-35(29-8-6-5-7-9-29)53-27-43(30,3)37(42)22-38(50)44(36,46)4/h5-14,16,18,32-37,48-49H,15,17,19-27H2,1-4H3/t32-,33-,34+,35-,36+,37+,41+,42+,43-,44-,45+,46+,47+/m0/s1
Canonical SMILES:  O=C(O[C@@]1(C)CO[C@@]2(C1)OC(=O)[C@@H](C2)[C@@H]1CC[C@@]23[C@]1(C=C[C@H]1[C@@]3(C)C(=O)C[C@@H]3[C@]1(C)CC=C1[C@]3(C)CO[C@@H](C1)c1ccccc1)C2)C[C@H](c1ccc(cc1)O)O
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
NPO9878 Dichapetalum gelonioides Species Dichapetalaceae Eukaryota PMID[24597894]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IZ = 12.8 mm 10498214
NPT562 Organism Colletotrichum gloeosporioides Colletotrichum gloeosporioides IZ = 12.4 mm 10498214
NPT2779 Organism Spodoptera exigua Spodoptera exigua EC50 = 78.7 microg/cm2 19721076
NPT660 Cell Line SW480 Homo sapiens IC50 > 40000 nM 12444684
NPT83 Cell Line MCF7 Homo sapiens IC50 = 8200 nM 21172735
NPT81 Cell Line A549 Homo sapiens IC50 = 26800 nM 19307369
NPT116 Cell Line HL-60 Homo sapiens IC50 > 40000 nM 17253864
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 40000 nM 17253864
NPT5164 Organism Fusarium oxysporum f. sp. niveum Fusarium oxysporum f. sp. niveum IZ = 12.8 mm 8824261
NPT529 Organism Rhizoctonia solani Rhizoctonia solani IZ = 13.8 mm 17850214

  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 NPC471858 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
0.9935 High Similarity NPC471850
0.9682 High Similarity NPC471859
0.949 High Similarity NPC471861
0.9434 High Similarity NPC471860
0.875 High Similarity NPC471856
0.869 High Similarity NPC475244
0.8562 High Similarity NPC471862
0.8438 Intermediate Similarity NPC261659
0.8428 Intermediate Similarity NPC253591
0.8412 Intermediate Similarity NPC475197
0.8412 Intermediate Similarity NPC473467
0.8365 Intermediate Similarity NPC475417
0.8365 Intermediate Similarity NPC475561
0.8333 Intermediate Similarity NPC469419
0.8304 Intermediate Similarity NPC195972
0.8148 Intermediate Similarity NPC35097
0.8144 Intermediate Similarity NPC269668
0.8144 Intermediate Similarity NPC208676
0.8144 Intermediate Similarity NPC130489
0.8141 Intermediate Similarity NPC79921
0.814 Intermediate Similarity NPC477617
0.8129 Intermediate Similarity NPC262324
0.8129 Intermediate Similarity NPC243893
0.8118 Intermediate Similarity NPC469458
0.8118 Intermediate Similarity NPC88176
0.8118 Intermediate Similarity NPC469396
0.8118 Intermediate Similarity NPC149002
0.8113 Intermediate Similarity NPC96447
0.8103 Intermediate Similarity NPC475613
0.8095 Intermediate Similarity NPC477627
0.8072 Intermediate Similarity NPC10945
0.8047 Intermediate Similarity NPC326278
0.8025 Intermediate Similarity NPC62800
0.8025 Intermediate Similarity NPC324262
0.8025 Intermediate Similarity NPC120728
0.8012 Intermediate Similarity NPC469459
0.8 Intermediate Similarity NPC257847
0.7988 Intermediate Similarity NPC77310
0.7963 Intermediate Similarity NPC472937
0.7963 Intermediate Similarity NPC472936
0.7963 Intermediate Similarity NPC472938
0.7963 Intermediate Similarity NPC470330
0.7962 Intermediate Similarity NPC469696
0.7955 Intermediate Similarity NPC469418
0.7933 Intermediate Similarity NPC96194
0.7933 Intermediate Similarity NPC299855
0.7931 Intermediate Similarity NPC13989
0.7931 Intermediate Similarity NPC254071
0.7931 Intermediate Similarity NPC148185
0.7931 Intermediate Similarity NPC149502
0.7931 Intermediate Similarity NPC222665
0.7931 Intermediate Similarity NPC271755
0.7927 Intermediate Similarity NPC267469
0.7927 Intermediate Similarity NPC162569
0.7927 Intermediate Similarity NPC87630
0.7927 Intermediate Similarity NPC35160
0.7927 Intermediate Similarity NPC179128
0.7927 Intermediate Similarity NPC472939
0.7927 Intermediate Similarity NPC116292
0.7912 Intermediate Similarity NPC475299
0.7901 Intermediate Similarity NPC320734
0.7901 Intermediate Similarity NPC208293
0.7895 Intermediate Similarity NPC161151
0.7895 Intermediate Similarity NPC327694
0.7889 Intermediate Similarity NPC189704
0.7888 Intermediate Similarity NPC202391
0.7888 Intermediate Similarity NPC25491
0.7888 Intermediate Similarity NPC296659
0.7885 Intermediate Similarity NPC471864
0.7879 Intermediate Similarity NPC472657
0.7879 Intermediate Similarity NPC472658
0.7875 Intermediate Similarity NPC148080
0.7875 Intermediate Similarity NPC469623
0.7866 Intermediate Similarity NPC279442
0.7862 Intermediate Similarity NPC164743
0.7857 Intermediate Similarity NPC475378
0.7853 Intermediate Similarity NPC260300
0.7849 Intermediate Similarity NPC318472
0.7845 Intermediate Similarity NPC475121
0.7845 Intermediate Similarity NPC476067
0.784 Intermediate Similarity NPC210330
0.7834 Intermediate Similarity NPC472804
0.7824 Intermediate Similarity NPC478073
0.7821 Intermediate Similarity NPC164172
0.7818 Intermediate Similarity NPC117346
0.7818 Intermediate Similarity NPC472548
0.7818 Intermediate Similarity NPC327962
0.7818 Intermediate Similarity NPC240592
0.7816 Intermediate Similarity NPC471870
0.7812 Intermediate Similarity NPC472801
0.7812 Intermediate Similarity NPC172311
0.7799 Intermediate Similarity NPC248287
0.7799 Intermediate Similarity NPC234548
0.7798 Intermediate Similarity NPC472807
0.7791 Intermediate Similarity NPC473147
0.7784 Intermediate Similarity NPC154675
0.7784 Intermediate Similarity NPC471871
0.7784 Intermediate Similarity NPC87403
0.7778 Intermediate Similarity NPC293568
0.7778 Intermediate Similarity NPC194938
0.7778 Intermediate Similarity NPC117943
0.7771 Intermediate Similarity NPC179240
0.7765 Intermediate Similarity NPC275477
0.7759 Intermediate Similarity NPC185498
0.7758 Intermediate Similarity NPC96599
0.7758 Intermediate Similarity NPC161955
0.7758 Intermediate Similarity NPC473719
0.7756 Intermediate Similarity NPC471066
0.7756 Intermediate Similarity NPC471095
0.7753 Intermediate Similarity NPC80360
0.7751 Intermediate Similarity NPC478055
0.775 Intermediate Similarity NPC470617
0.775 Intermediate Similarity NPC470616
0.7746 Intermediate Similarity NPC40138
0.7746 Intermediate Similarity NPC469420
0.7738 Intermediate Similarity NPC469417
0.7738 Intermediate Similarity NPC160882
0.7736 Intermediate Similarity NPC198621
0.7736 Intermediate Similarity NPC475482
0.7736 Intermediate Similarity NPC216940
0.7736 Intermediate Similarity NPC22676
0.7725 Intermediate Similarity NPC472549
0.7722 Intermediate Similarity NPC186746
0.7716 Intermediate Similarity NPC204644
0.7714 Intermediate Similarity NPC202428
0.7714 Intermediate Similarity NPC266545
0.7711 Intermediate Similarity NPC477905
0.7709 Intermediate Similarity NPC108191
0.7709 Intermediate Similarity NPC195114
0.7709 Intermediate Similarity NPC93685
0.7706 Intermediate Similarity NPC208651
0.7706 Intermediate Similarity NPC206641
0.7705 Intermediate Similarity NPC230670
0.7705 Intermediate Similarity NPC71385
0.7702 Intermediate Similarity NPC27518
0.7702 Intermediate Similarity NPC304110
0.7701 Intermediate Similarity NPC306475
0.7697 Intermediate Similarity NPC477483
0.7697 Intermediate Similarity NPC325032
0.7697 Intermediate Similarity NPC95990
0.7692 Intermediate Similarity NPC474501
0.7692 Intermediate Similarity NPC186316
0.7688 Intermediate Similarity NPC116742
0.7688 Intermediate Similarity NPC109990
0.7688 Intermediate Similarity NPC14294
0.7688 Intermediate Similarity NPC116759
0.7688 Intermediate Similarity NPC139243
0.7684 Intermediate Similarity NPC105137
0.7684 Intermediate Similarity NPC124828
0.7683 Intermediate Similarity NPC119773
0.7683 Intermediate Similarity NPC475539
0.7683 Intermediate Similarity NPC143246
0.7683 Intermediate Similarity NPC474268
0.7683 Intermediate Similarity NPC212808
0.7674 Intermediate Similarity NPC471134
0.7674 Intermediate Similarity NPC152424
0.7674 Intermediate Similarity NPC100465
0.7674 Intermediate Similarity NPC288149
0.7674 Intermediate Similarity NPC186228
0.7673 Intermediate Similarity NPC249817
0.767 Intermediate Similarity NPC469421
0.7669 Intermediate Similarity NPC477207
0.7667 Intermediate Similarity NPC188217
0.7665 Intermediate Similarity NPC158546
0.7665 Intermediate Similarity NPC289021
0.7663 Intermediate Similarity NPC112708
0.7661 Intermediate Similarity NPC53139
0.7661 Intermediate Similarity NPC314795
0.7657 Intermediate Similarity NPC177362
0.7657 Intermediate Similarity NPC286809
0.7654 Intermediate Similarity NPC478000
0.7651 Intermediate Similarity NPC477206
0.7647 Intermediate Similarity NPC32373
0.7647 Intermediate Similarity NPC237946
0.7647 Intermediate Similarity NPC148323
0.7647 Intermediate Similarity NPC283480
0.7644 Intermediate Similarity NPC102465
0.7644 Intermediate Similarity NPC265600
0.7633 Intermediate Similarity NPC474621
0.7633 Intermediate Similarity NPC474622
0.763 Intermediate Similarity NPC477491
0.763 Intermediate Similarity NPC145847
0.763 Intermediate Similarity NPC61891
0.763 Intermediate Similarity NPC324769
0.763 Intermediate Similarity NPC187934
0.763 Intermediate Similarity NPC471873
0.763 Intermediate Similarity NPC325732
0.763 Intermediate Similarity NPC97637
0.7628 Intermediate Similarity NPC469705
0.7628 Intermediate Similarity NPC470122
0.7628 Intermediate Similarity NPC17968
0.7625 Intermediate Similarity NPC308976
0.7624 Intermediate Similarity NPC478001
0.7622 Intermediate Similarity NPC475528
0.7622 Intermediate Similarity NPC473711
0.7619 Intermediate Similarity NPC56184
0.7619 Intermediate Similarity NPC106818
0.7616 Intermediate Similarity NPC310399
0.7616 Intermediate Similarity NPC91634
0.7616 Intermediate Similarity NPC150943

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471858 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
0.7759 Intermediate Similarity NPD7228 Approved
0.7709 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD4966 Approved
0.7647 Intermediate Similarity NPD4965 Approved
0.7647 Intermediate Similarity NPD4967 Phase 2
0.7558 Intermediate Similarity NPD6234 Discontinued
0.7557 Intermediate Similarity NPD7799 Discontinued
0.7471 Intermediate Similarity NPD37 Approved
0.7468 Intermediate Similarity NPD6663 Approved
0.7439 Intermediate Similarity NPD8166 Discontinued
0.7389 Intermediate Similarity NPD7685 Pre-registration
0.7389 Intermediate Similarity NPD7240 Approved
0.7377 Intermediate Similarity NPD8150 Discontinued
0.7371 Intermediate Similarity NPD8127 Discontinued
0.7353 Intermediate Similarity NPD7028 Phase 2
0.7326 Intermediate Similarity NPD8455 Phase 2
0.7325 Intermediate Similarity NPD5736 Approved
0.7312 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD8313 Approved
0.7308 Intermediate Similarity NPD8312 Approved
0.7297 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD7458 Discontinued
0.7284 Intermediate Similarity NPD7097 Phase 1
0.7273 Intermediate Similarity NPD7199 Phase 2
0.7189 Intermediate Similarity NPD8434 Phase 2
0.716 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7236 Approved
0.7127 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7680 Approved
0.7095 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD3764 Approved
0.7048 Intermediate Similarity NPD7266 Discontinued
0.7039 Intermediate Similarity NPD3787 Discontinued
0.7037 Intermediate Similarity NPD8032 Phase 2
0.7035 Intermediate Similarity NPD7239 Suspended
0.7032 Intermediate Similarity NPD2932 Approved
0.7032 Intermediate Similarity NPD3019 Approved
0.7024 Intermediate Similarity NPD4628 Phase 3
0.7019 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD6273 Approved
0.7006 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7966 Clinical (unspecified phase)
0.699 Remote Similarity NPD8320 Phase 1
0.699 Remote Similarity NPD8319 Approved
0.6989 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6982 Remote Similarity NPD6190 Approved
0.6978 Remote Similarity NPD3751 Discontinued
0.6954 Remote Similarity NPD4380 Phase 2
0.6951 Remote Similarity NPD6355 Discontinued
0.6932 Remote Similarity NPD5760 Phase 2
0.6932 Remote Similarity NPD5761 Phase 2
0.6928 Remote Similarity NPD7033 Discontinued
0.6923 Remote Similarity NPD7473 Discontinued
0.6919 Remote Similarity NPD6559 Discontinued
0.691 Remote Similarity NPD7075 Discontinued
0.6903 Remote Similarity NPD7741 Discontinued
0.6902 Remote Similarity NPD7074 Phase 3
0.689 Remote Similarity NPD4140 Approved
0.6875 Remote Similarity NPD3094 Phase 2
0.6856 Remote Similarity NPD7699 Phase 2
0.6856 Remote Similarity NPD7700 Phase 2
0.6853 Remote Similarity NPD7435 Discontinued
0.6848 Remote Similarity NPD7054 Approved
0.6845 Remote Similarity NPD6002 Phase 3
0.6845 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6845 Remote Similarity NPD6005 Phase 3
0.6845 Remote Similarity NPD6004 Phase 3
0.6845 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6836 Remote Similarity NPD7819 Suspended
0.6832 Remote Similarity NPD5647 Approved
0.6815 Remote Similarity NPD5125 Phase 3
0.6815 Remote Similarity NPD5126 Approved
0.6811 Remote Similarity NPD7472 Approved
0.6809 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6809 Remote Similarity NPD8407 Phase 2
0.6793 Remote Similarity NPD3818 Discontinued
0.6791 Remote Similarity NPD7808 Phase 3
0.6788 Remote Similarity NPD6535 Approved
0.6788 Remote Similarity NPD6534 Approved
0.6776 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7698 Approved
0.6768 Remote Similarity NPD7696 Phase 3
0.6768 Remote Similarity NPD7697 Approved
0.6758 Remote Similarity NPD6232 Discontinued
0.6754 Remote Similarity NPD8360 Approved
0.6754 Remote Similarity NPD8361 Approved
0.6747 Remote Similarity NPD5735 Approved
0.6746 Remote Similarity NPD5762 Approved
0.6746 Remote Similarity NPD5763 Approved
0.6742 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6738 Remote Similarity NPD7251 Discontinued
0.6738 Remote Similarity NPD8368 Discontinued
0.6737 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6734 Remote Similarity NPD7870 Phase 2
0.6734 Remote Similarity NPD7871 Phase 2
0.6733 Remote Similarity NPD7874 Approved
0.6733 Remote Similarity NPD7875 Clinical (unspecified phase)
0.673 Remote Similarity NPD3092 Approved
0.6727 Remote Similarity NPD6233 Phase 2
0.6725 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6725 Remote Similarity NPD4110 Phase 3
0.6725 Remote Similarity NPD7003 Approved
0.6725 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7411 Suspended
0.6722 Remote Similarity NPD3749 Approved
0.6707 Remote Similarity NPD7095 Approved
0.6703 Remote Similarity NPD6959 Discontinued
0.6702 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6777 Approved
0.6701 Remote Similarity NPD6781 Approved
0.6701 Remote Similarity NPD6779 Approved
0.6701 Remote Similarity NPD6780 Approved
0.6701 Remote Similarity NPD6778 Approved
0.6701 Remote Similarity NPD6782 Approved
0.6701 Remote Similarity NPD6776 Approved
0.67 Remote Similarity NPD7783 Phase 2
0.67 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6688 Remote Similarity NPD3091 Approved
0.6686 Remote Similarity NPD6099 Approved
0.6686 Remote Similarity NPD6100 Approved
0.6686 Remote Similarity NPD2438 Suspended
0.6685 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6685 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6685 Remote Similarity NPD6166 Phase 2
0.6685 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6684 Remote Similarity NPD6797 Phase 2
0.6683 Remote Similarity NPD8151 Discontinued
0.6683 Remote Similarity NPD7930 Approved
0.6667 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3026 Approved
0.6667 Remote Similarity NPD8435 Approved
0.6667 Remote Similarity NPD7315 Approved
0.6667 Remote Similarity NPD7057 Phase 3
0.6667 Remote Similarity NPD6798 Discontinued
0.6667 Remote Similarity NPD7058 Phase 2
0.6667 Remote Similarity NPD7768 Phase 2
0.6667 Remote Similarity NPD3023 Approved
0.6667 Remote Similarity NPD5844 Phase 1
0.6649 Remote Similarity NPD6765 Approved
0.6649 Remote Similarity NPD6764 Approved
0.6646 Remote Similarity NPD3024 Approved
0.6646 Remote Similarity NPD3025 Approved
0.6634 Remote Similarity NPD7701 Phase 2
0.6633 Remote Similarity NPD6823 Phase 2
0.6618 Remote Similarity NPD7801 Approved
0.6616 Remote Similarity NPD8486 Clinical (unspecified phase)
0.661 Remote Similarity NPD3226 Approved
0.6607 Remote Similarity NPD6353 Approved
0.6607 Remote Similarity NPD6653 Approved
0.66 Remote Similarity NPD7497 Discontinued
0.6596 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6592 Remote Similarity NPD6801 Discontinued
0.6591 Remote Similarity NPD6980 Clinical (unspecified phase)
0.659 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6587 Remote Similarity NPD3620 Phase 2
0.6587 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6578 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6576 Remote Similarity NPD7229 Phase 3
0.6573 Remote Similarity NPD6599 Discontinued
0.6571 Remote Similarity NPD2534 Approved
0.6571 Remote Similarity NPD2532 Approved
0.6571 Remote Similarity NPD2533 Approved
0.657 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6568 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6564 Remote Similarity NPD6212 Phase 3
0.6564 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6564 Remote Similarity NPD6213 Phase 3
0.6557 Remote Similarity NPD5494 Approved
0.6556 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6552 Remote Similarity NPD5058 Phase 3
0.6535 Remote Similarity NPD7999 Approved
0.6532 Remote Similarity NPD3400 Discontinued
0.6532 Remote Similarity NPD3750 Approved
0.6529 Remote Similarity NPD7305 Phase 1
0.6529 Remote Similarity NPD2799 Discontinued
0.6524 Remote Similarity NPD6085 Phase 2
0.6524 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6524 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6519 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7390 Discontinued
0.651 Remote Similarity NPD6785 Approved
0.651 Remote Similarity NPD6784 Approved
0.6503 Remote Similarity NPD1283 Approved
0.65 Remote Similarity NPD3095 Discontinued
0.65 Remote Similarity NPD1934 Approved
0.6497 Remote Similarity NPD4198 Discontinued
0.6491 Remote Similarity NPD5404 Approved
0.6491 Remote Similarity NPD2935 Discontinued
0.6491 Remote Similarity NPD5405 Approved
0.6491 Remote Similarity NPD5408 Approved
0.6491 Remote Similarity NPD5406 Approved
0.6488 Remote Similarity NPD4060 Phase 1
0.6488 Remote Similarity NPD2979 Phase 3
0.6485 Remote Similarity NPD2861 Phase 2

Structure

External Identifiers

PubChem CID   90676171
ChEMBL   CHEMBL3261936
ZINC  

Physicochemical Properties

Molecular Weight:  762.38
ALogP:  0.6664
MLogP:  5.64
XLogP:  7.952
# Rotatable Bonds:  13
Polar Surface Area:  128.59
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  10
# Heavy Atoms:  56

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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