Natural Product: NPC320259

Natural Product ID:  NPC320259
Common Name:   Robustaside E
IUPAC Name:   [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl (E)-3-(1,4-dihydroxy-6-oxocyclohex-2-en-1-yl)prop-2-enoate
Synonyms:   Robustaside E
Molecular Formula:   C21H24O11
Standard InCHIKey:  MJKRDLMPYUENAA-OANOARFOSA-N
Standard InCHI:  InChI=1S/C21H24O11/c22-11-1-3-13(4-2-11)31-20-19(28)18(27)17(26)14(32-20)10-30-16(25)6-8-21(29)7-5-12(23)9-15(21)24/h1-8,12,14,17-20,22-23,26-29H,9-10H2/b8-6+/t12?,14-,17-,18+,19-,20-,21?/m1/s1
Canonical SMILES:  O=C(/C=C/C1(O)C=CC(CC1=O)O)OC[C@H]1O[C@@H](Oc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)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
NPO32611 grevillea "poorinda queen" Species Proteaceae Eukaryota PMID[21155593]
NPO29927 Grevillea Genus Proteaceae Eukaryota Twigs PMID[21155593]
NPO29927 Grevillea Genus Proteaceae Eukaryota Leaves PMID[21155593]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 55500 nM 21155593
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 77400 nM 21155593
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 29400 nM 21155593
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 36200 nM 21155593
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 25300 nM 21155593
NPT71 Cell Line HEK293 Homo sapiens IC50 > 690000 nM 21155593
NPT2 Others Unspecified IC50 > 10000 nM 21155593
NPT65 Cell Line HepG2 Homo sapiens IC50 > 690000 nM 21155593

  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 NPC320259 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
0.9375 High Similarity NPC140750
0.9308 High Similarity NPC470079
0.9154 High Similarity NPC198487
0.9 High Similarity NPC233559
0.8803 High Similarity NPC474422
0.8591 High Similarity NPC474401
0.8591 High Similarity NPC474398
0.8591 High Similarity NPC474441
0.8591 High Similarity NPC476026
0.8582 High Similarity NPC65833
0.8562 High Similarity NPC131874
0.8552 High Similarity NPC22137
0.8533 High Similarity NPC57072
0.8533 High Similarity NPC231475
0.8444 Intermediate Similarity NPC146540
0.8433 Intermediate Similarity NPC252114
0.8382 Intermediate Similarity NPC295970
0.8382 Intermediate Similarity NPC253595
0.8367 Intermediate Similarity NPC471214
0.8357 Intermediate Similarity NPC166180
0.8345 Intermediate Similarity NPC471029
0.8322 Intermediate Similarity NPC145319
0.8312 Intermediate Similarity NPC475183
0.8286 Intermediate Similarity NPC185778
0.8281 Intermediate Similarity NPC142319
0.8258 Intermediate Similarity NPC280923
0.8231 Intermediate Similarity NPC92054
0.8231 Intermediate Similarity NPC140722
0.8231 Intermediate Similarity NPC83975
0.8231 Intermediate Similarity NPC4958
0.8227 Intermediate Similarity NPC472132
0.8219 Intermediate Similarity NPC291153
0.8205 Intermediate Similarity NPC475174
0.82 Intermediate Similarity NPC215811
0.82 Intermediate Similarity NPC183536
0.82 Intermediate Similarity NPC34965
0.8195 Intermediate Similarity NPC57751
0.8194 Intermediate Similarity NPC245219
0.8194 Intermediate Similarity NPC31081
0.8182 Intermediate Similarity NPC71780
0.8182 Intermediate Similarity NPC202700
0.8151 Intermediate Similarity NPC138915
0.8146 Intermediate Similarity NPC92153
0.8146 Intermediate Similarity NPC230439
0.8146 Intermediate Similarity NPC299761
0.8146 Intermediate Similarity NPC279281
0.8134 Intermediate Similarity NPC52097
0.8129 Intermediate Similarity NPC281798
0.8125 Intermediate Similarity NPC186406
0.8125 Intermediate Similarity NPC80098
0.8121 Intermediate Similarity NPC182350
0.8112 Intermediate Similarity NPC100389
0.8108 Intermediate Similarity NPC302989
0.8105 Intermediate Similarity NPC223335
0.8105 Intermediate Similarity NPC40920
0.8102 Intermediate Similarity NPC106677
0.8099 Intermediate Similarity NPC37468
0.8099 Intermediate Similarity NPC186418
0.8088 Intermediate Similarity NPC126991
0.8088 Intermediate Similarity NPC83218
0.8069 Intermediate Similarity NPC157816
0.8067 Intermediate Similarity NPC93619
0.806 Intermediate Similarity NPC11724
0.8052 Intermediate Similarity NPC469654
0.805 Intermediate Similarity NPC280385
0.8029 Intermediate Similarity NPC471157
0.8026 Intermediate Similarity NPC299435
0.8026 Intermediate Similarity NPC260604
0.8014 Intermediate Similarity NPC478239
0.8014 Intermediate Similarity NPC242756
0.8 Intermediate Similarity NPC79908
0.8 Intermediate Similarity NPC215512
0.8 Intermediate Similarity NPC476442
0.8 Intermediate Similarity NPC44507
0.7987 Intermediate Similarity NPC478237
0.7985 Intermediate Similarity NPC476872
0.7972 Intermediate Similarity NPC103409
0.7972 Intermediate Similarity NPC157554
0.7971 Intermediate Similarity NPC288416
0.7959 Intermediate Similarity NPC476867
0.7959 Intermediate Similarity NPC292443
0.7959 Intermediate Similarity NPC232228
0.7959 Intermediate Similarity NPC471028
0.7958 Intermediate Similarity NPC34456
0.7956 Intermediate Similarity NPC470510
0.7945 Intermediate Similarity NPC164599
0.7943 Intermediate Similarity NPC269421
0.7933 Intermediate Similarity NPC478242
0.7933 Intermediate Similarity NPC287294
0.7917 Intermediate Similarity NPC124149
0.7914 Intermediate Similarity NPC225307
0.7914 Intermediate Similarity NPC40377
0.7908 Intermediate Similarity NPC160882
0.7905 Intermediate Similarity NPC476866
0.7905 Intermediate Similarity NPC476864
0.7905 Intermediate Similarity NPC476869
0.7905 Intermediate Similarity NPC476868
0.7899 Intermediate Similarity NPC298845
0.7895 Intermediate Similarity NPC228907
0.7891 Intermediate Similarity NPC469367
0.7891 Intermediate Similarity NPC152796
0.7891 Intermediate Similarity NPC475213
0.7887 Intermediate Similarity NPC215484
0.7883 Intermediate Similarity NPC287429
0.7872 Intermediate Similarity NPC138777
0.7872 Intermediate Similarity NPC246869
0.7872 Intermediate Similarity NPC478255
0.7872 Intermediate Similarity NPC225384
0.7872 Intermediate Similarity NPC254819
0.7871 Intermediate Similarity NPC43638
0.7862 Intermediate Similarity NPC226005
0.7857 Intermediate Similarity NPC97326
0.7852 Intermediate Similarity NPC199928
0.7852 Intermediate Similarity NPC469412
0.7852 Intermediate Similarity NPC269242
0.7852 Intermediate Similarity NPC476865
0.7852 Intermediate Similarity NPC198734
0.7848 Intermediate Similarity NPC121703
0.7848 Intermediate Similarity NPC80068
0.7847 Intermediate Similarity NPC294470
0.7847 Intermediate Similarity NPC470572
0.7847 Intermediate Similarity NPC471345
0.7843 Intermediate Similarity NPC88484
0.7843 Intermediate Similarity NPC157898
0.7843 Intermediate Similarity NPC259767
0.7842 Intermediate Similarity NPC35288
0.7842 Intermediate Similarity NPC173150
0.7842 Intermediate Similarity NPC37074
0.7842 Intermediate Similarity NPC45224
0.7842 Intermediate Similarity NPC471882
0.7842 Intermediate Similarity NPC156692
0.7842 Intermediate Similarity NPC471881
0.784 Intermediate Similarity NPC470438
0.7838 Intermediate Similarity NPC110063
0.7838 Intermediate Similarity NPC63304
0.7834 Intermediate Similarity NPC132737
0.7834 Intermediate Similarity NPC259957
0.7834 Intermediate Similarity NPC159579
0.7834 Intermediate Similarity NPC48093
0.7834 Intermediate Similarity NPC85707
0.7834 Intermediate Similarity NPC216496
0.7834 Intermediate Similarity NPC282169
0.7834 Intermediate Similarity NPC129217
0.7834 Intermediate Similarity NPC224530
0.7832 Intermediate Similarity NPC169398
0.7829 Intermediate Similarity NPC473966
0.7829 Intermediate Similarity NPC213197
0.7823 Intermediate Similarity NPC148080
0.7823 Intermediate Similarity NPC469623
0.7823 Intermediate Similarity NPC140502
0.782 Intermediate Similarity NPC9248
0.7815 Intermediate Similarity NPC313334
0.7815 Intermediate Similarity NPC206264
0.7815 Intermediate Similarity NPC111785
0.7815 Intermediate Similarity NPC212670
0.7812 Intermediate Similarity NPC128403
0.7806 Intermediate Similarity NPC149368
0.7806 Intermediate Similarity NPC307938
0.7806 Intermediate Similarity NPC265480
0.7806 Intermediate Similarity NPC127406
0.7806 Intermediate Similarity NPC323593
0.7806 Intermediate Similarity NPC203500
0.7799 Intermediate Similarity NPC139060
0.7799 Intermediate Similarity NPC19240
0.7799 Intermediate Similarity NPC205824
0.7799 Intermediate Similarity NPC129264
0.7799 Intermediate Similarity NPC85751
0.7799 Intermediate Similarity NPC72016
0.7794 Intermediate Similarity NPC226712
0.7792 Intermediate Similarity NPC470331
0.7792 Intermediate Similarity NPC185103
0.7785 Intermediate Similarity NPC85624
0.7785 Intermediate Similarity NPC475528
0.7785 Intermediate Similarity NPC27942
0.7785 Intermediate Similarity NPC226722
0.7778 Intermediate Similarity NPC55040
0.7778 Intermediate Similarity NPC60589
0.7778 Intermediate Similarity NPC212729
0.7778 Intermediate Similarity NPC469708
0.777 Intermediate Similarity NPC116104
0.777 Intermediate Similarity NPC237872
0.777 Intermediate Similarity NPC263397
0.777 Intermediate Similarity NPC302286
0.777 Intermediate Similarity NPC469622
0.777 Intermediate Similarity NPC88754
0.777 Intermediate Similarity NPC189589
0.777 Intermediate Similarity NPC171533
0.7763 Intermediate Similarity NPC100818
0.7756 Intermediate Similarity NPC6985
0.7756 Intermediate Similarity NPC197304
0.7756 Intermediate Similarity NPC182634
0.7756 Intermediate Similarity NPC133671
0.7756 Intermediate Similarity NPC54802
0.7756 Intermediate Similarity NPC60966
0.7756 Intermediate Similarity NPC78263
0.7756 Intermediate Similarity NPC177742
0.7756 Intermediate Similarity NPC108831
0.7756 Intermediate Similarity NPC77672
0.7756 Intermediate Similarity NPC135391
0.7754 Intermediate Similarity NPC221090

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC320259 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
0.7815 Intermediate Similarity NPD1653 Approved
0.7794 Intermediate Similarity NPD1091 Approved
0.7643 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD5402 Approved
0.7516 Intermediate Similarity NPD5403 Approved
0.7386 Intermediate Similarity NPD5401 Approved
0.7383 Intermediate Similarity NPD7266 Discontinued
0.7379 Intermediate Similarity NPD6233 Phase 2
0.7333 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7075 Discontinued
0.7273 Intermediate Similarity NPD3751 Discontinued
0.7273 Intermediate Similarity NPD5647 Approved
0.7246 Intermediate Similarity NPD6797 Phase 2
0.7225 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD8312 Approved
0.7219 Intermediate Similarity NPD8313 Approved
0.7203 Intermediate Similarity NPD1049 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD7251 Discontinued
0.7202 Intermediate Similarity NPD6559 Discontinued
0.719 Intermediate Similarity NPD6190 Approved
0.717 Intermediate Similarity NPD6801 Discontinued
0.7169 Intermediate Similarity NPD3818 Discontinued
0.716 Intermediate Similarity NPD7808 Phase 3
0.7133 Intermediate Similarity NPD7033 Discontinued
0.7126 Intermediate Similarity NPD7054 Approved
0.7125 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD8455 Phase 2
0.7097 Intermediate Similarity NPD6799 Approved
0.7083 Intermediate Similarity NPD7074 Phase 3
0.7083 Intermediate Similarity NPD7472 Approved
0.7067 Intermediate Similarity NPD7097 Phase 1
0.7047 Intermediate Similarity NPD4340 Discontinued
0.7044 Intermediate Similarity NPD4380 Phase 2
0.703 Intermediate Similarity NPD3787 Discontinued
0.7013 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4628 Phase 3
0.6959 Remote Similarity NPD6798 Discontinued
0.6948 Remote Similarity NPD1652 Phase 2
0.6933 Remote Similarity NPD1933 Approved
0.6901 Remote Similarity NPD7685 Pre-registration
0.6897 Remote Similarity NPD3225 Approved
0.6883 Remote Similarity NPD1549 Phase 2
0.6871 Remote Similarity NPD3817 Phase 2
0.6863 Remote Similarity NPD1551 Phase 2
0.6861 Remote Similarity NPD969 Suspended
0.6853 Remote Similarity NPD3496 Discontinued
0.6849 Remote Similarity NPD1203 Approved
0.6845 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6845 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6845 Remote Similarity NPD6166 Phase 2
0.6842 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6839 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6832 Remote Similarity NPD6599 Discontinued
0.6831 Remote Similarity NPD7435 Discontinued
0.6829 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6821 Remote Similarity NPD5124 Phase 1
0.6821 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1358 Approved
0.68 Remote Similarity NPD4062 Phase 3
0.68 Remote Similarity NPD8434 Phase 2
0.6795 Remote Similarity NPD6398 Clinical (unspecified phase)
0.679 Remote Similarity NPD7411 Suspended
0.6779 Remote Similarity NPD7095 Approved
0.6776 Remote Similarity NPD6653 Approved
0.6774 Remote Similarity NPD2424 Discontinued
0.6759 Remote Similarity NPD9717 Approved
0.6758 Remote Similarity NPD6778 Approved
0.6758 Remote Similarity NPD6776 Approved
0.6758 Remote Similarity NPD6781 Approved
0.6758 Remote Similarity NPD6780 Approved
0.6758 Remote Similarity NPD6782 Approved
0.6758 Remote Similarity NPD6777 Approved
0.6758 Remote Similarity NPD6779 Approved
0.6748 Remote Similarity NPD1934 Approved
0.6744 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6741 Remote Similarity NPD968 Approved
0.6735 Remote Similarity NPD6362 Approved
0.6731 Remote Similarity NPD7421 Clinical (unspecified phase)
0.673 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6712 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6711 Remote Similarity NPD6832 Phase 2
0.6711 Remote Similarity NPD6355 Discontinued
0.6709 Remote Similarity NPD5058 Phase 3
0.6707 Remote Similarity NPD2801 Approved
0.6707 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6692 Remote Similarity NPD291 Approved
0.6691 Remote Similarity NPD290 Approved
0.669 Remote Similarity NPD1535 Discovery
0.669 Remote Similarity NPD422 Phase 1
0.6688 Remote Similarity NPD3750 Approved
0.6667 Remote Similarity NPD2598 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6645 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6645 Remote Similarity NPD4060 Phase 1
0.6645 Remote Similarity NPD1613 Approved
0.6645 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6645 Remote Similarity NPD2935 Discontinued
0.6644 Remote Similarity NPD2861 Phase 2
0.6644 Remote Similarity NPD1481 Phase 2
0.6641 Remote Similarity NPD9365 Approved
0.6629 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6627 Remote Similarity NPD3882 Suspended
0.6623 Remote Similarity NPD3268 Approved
0.6623 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6623 Remote Similarity NPD2313 Discontinued
0.6622 Remote Similarity NPD2797 Approved
0.6622 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6618 Remote Similarity NPD3134 Approved
0.6614 Remote Similarity NPD7874 Approved
0.6614 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6606 Remote Similarity NPD7819 Suspended
0.6603 Remote Similarity NPD5763 Approved
0.6603 Remote Similarity NPD5762 Approved
0.6601 Remote Similarity NPD447 Suspended
0.6594 Remote Similarity NPD556 Approved
0.6584 Remote Similarity NPD1512 Approved
0.6575 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7843 Approved
0.657 Remote Similarity NPD7228 Approved
0.6559 Remote Similarity NPD7696 Phase 3
0.6559 Remote Similarity NPD7698 Approved
0.6559 Remote Similarity NPD7697 Approved
0.6552 Remote Similarity NPD1778 Approved
0.6549 Remote Similarity NPD6671 Approved
0.6548 Remote Similarity NPD6234 Discontinued
0.6545 Remote Similarity NPD37 Approved
0.6532 Remote Similarity NPD5844 Phase 1
0.6528 Remote Similarity NPD9545 Approved
0.6527 Remote Similarity NPD4967 Phase 2
0.6527 Remote Similarity NPD4965 Approved
0.6527 Remote Similarity NPD4966 Approved
0.6525 Remote Similarity NPD1241 Discontinued
0.6524 Remote Similarity NPD7871 Phase 2
0.6524 Remote Similarity NPD7870 Phase 2
0.6522 Remote Similarity NPD3536 Discontinued
0.6522 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6522 Remote Similarity NPD2684 Approved
0.6522 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6517 Remote Similarity NPD8150 Discontinued
0.6513 Remote Similarity NPD1048 Approved
0.6508 Remote Similarity NPD7701 Phase 2
0.6505 Remote Similarity NPD6823 Phase 2
0.6497 Remote Similarity NPD6005 Phase 3
0.6497 Remote Similarity NPD6002 Phase 3
0.6497 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6497 Remote Similarity NPD6004 Phase 3
0.6497 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6491 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6484 Remote Similarity NPD6534 Approved
0.6484 Remote Similarity NPD6535 Approved
0.6478 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6474 Remote Similarity NPD1510 Phase 2
0.6471 Remote Similarity NPD7199 Phase 2
0.6467 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6467 Remote Similarity NPD1019 Discontinued
0.6463 Remote Similarity NPD3226 Approved
0.646 Remote Similarity NPD1511 Approved
0.6458 Remote Similarity NPD9092 Discovery
0.6454 Remote Similarity NPD769 Approved
0.6453 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6447 Remote Similarity NPD3027 Phase 3
0.6442 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6438 Remote Similarity NPD2354 Approved
0.6438 Remote Similarity NPD3887 Approved
0.6434 Remote Similarity NPD7157 Approved
0.6433 Remote Similarity NPD5712 Approved
0.6433 Remote Similarity NPD2796 Approved
0.6429 Remote Similarity NPD7768 Phase 2
0.6423 Remote Similarity NPD9697 Approved
0.642 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6415 Remote Similarity NPD6674 Discontinued
0.6414 Remote Similarity NPD1894 Discontinued
0.6414 Remote Similarity NPD1548 Phase 1
0.641 Remote Similarity NPD4537 Clinical (unspecified phase)
0.641 Remote Similarity NPD4538 Approved
0.641 Remote Similarity NPD4536 Approved
0.6407 Remote Similarity NPD7972 Discontinued
0.6406 Remote Similarity NPD7783 Phase 2
0.6406 Remote Similarity NPD7801 Approved
0.6406 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6405 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6392 Remote Similarity NPD2346 Discontinued
0.6392 Remote Similarity NPD521 Clinical (unspecified phase)
0.6391 Remote Similarity NPD3749 Approved
0.6389 Remote Similarity NPD9493 Approved
0.6387 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6382 Remote Similarity NPD4908 Phase 1
0.6382 Remote Similarity NPD1529 Clinical (unspecified phase)
0.638 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6378 Remote Similarity NPD7700 Phase 2
0.6378 Remote Similarity NPD7699 Phase 2
0.6376 Remote Similarity NPD4749 Approved
0.637 Remote Similarity NPD5585 Approved
0.637 Remote Similarity NPD1357 Approved
0.6369 Remote Similarity NPD3748 Approved
0.6369 Remote Similarity NPD5588 Approved
0.6369 Remote Similarity NPD5960 Phase 3

Structure

External Identifiers

PubChem CID   50994836
ChEMBL   CHEMBL1669712
ZINC  

Physicochemical Properties

Molecular Weight:  452.13
ALogP:  -2.9543
MLogP:  2.56
XLogP:  -0.547
# Rotatable Bonds:  13
Polar Surface Area:  183.21
# H-Bond Aceptor:  9
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  32

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