Natural Product: NPC198741

Natural Product ID:  NPC198741
Common Name:   (E)-3-{4-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-((S)-1-Hydroxy-Ethyl)-Tetrahydro-Furan-2-Yloxy]-3-Hydroxy-Phenyl}-2-Methyl-N-((3As,4R,5R,6S,7R,7Ar)-4,6,7-Trihydroxy-Hexahydro-Benzo[1,3]Dioxol-5-Yl)-Acrylamide
IUPAC Name:   (E)-N-[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-3-hydroxyphenyl]-2-methylprop-2-enamide
Synonyms:  
Molecular Formula:   C23H31NO12
Standard InCHIKey:  STCSTCYFNDYMLS-CXUMOKCHSA-N
Standard InCHI:  InChI=1S/C23H31NO12/c1-8(22(32)24-13-14(27)16(29)21-20(15(13)28)33-7-34-21)5-10-3-4-12(11(26)6-10)35-23-18(31)17(30)19(36-23)9(2)25/h3-6,9,13-21,23,25-31H,7H2,1-2H3,(H,24,32)/b8-5+/t9-,13+,14-,15+,16+,17-,18-,19+,20-,21+,23+/m0/s1
Canonical SMILES:  O[C@@H]1[C@@H](O[C@@H]([C@H]1O)[C@@H](O)C)Oc1ccc(cc1O)/C=C(/C(=N[C@@H]1[C@H](O)[C@@H](O)[C@@H]2[C@H]([C@@H]1O)OCO2)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
NPO30376 Streptomyces sp. Species Streptomycetaceae Bacteria latex PMID[21879726]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2622 Organism Brachyspira hyodysenteriae Brachyspira hyodysenteriae MIC = 3.13 ug/ml 10.1016/S0960-894X(01)80896-9
NPT746 Organism Pasteurella multocida Pasteurella multocida MIC = 6.25 ug/ml 10.1016/S0960-894X(01)80896-9

  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 NPC198741 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
0.9217 High Similarity NPC34780
0.848 Intermediate Similarity NPC474607
0.843 Intermediate Similarity NPC474650
0.8412 Intermediate Similarity NPC115343
0.8412 Intermediate Similarity NPC1291
0.8383 Intermediate Similarity NPC304846
0.8373 Intermediate Similarity NPC54125
0.8373 Intermediate Similarity NPC89199
0.8314 Intermediate Similarity NPC475794
0.8294 Intermediate Similarity NPC289743
0.8294 Intermediate Similarity NPC110374
0.8182 Intermediate Similarity NPC475919
0.8182 Intermediate Similarity NPC474661
0.8024 Intermediate Similarity NPC69360
0.8012 Intermediate Similarity NPC182257
0.7965 Intermediate Similarity NPC474953
0.7935 Intermediate Similarity NPC252833
0.7914 Intermediate Similarity NPC470935
0.7914 Intermediate Similarity NPC471032
0.7901 Intermediate Similarity NPC18979
0.7901 Intermediate Similarity NPC279298
0.7901 Intermediate Similarity NPC22150
0.7901 Intermediate Similarity NPC38041
0.7885 Intermediate Similarity NPC25821
0.7885 Intermediate Similarity NPC6836
0.7879 Intermediate Similarity NPC474560
0.7862 Intermediate Similarity NPC212770
0.7862 Intermediate Similarity NPC98777
0.7857 Intermediate Similarity NPC248355
0.7857 Intermediate Similarity NPC307110
0.7857 Intermediate Similarity NPC470706
0.7853 Intermediate Similarity NPC115144
0.7853 Intermediate Similarity NPC112861
0.7853 Intermediate Similarity NPC277857
0.7848 Intermediate Similarity NPC160607
0.7848 Intermediate Similarity NPC14600
0.7848 Intermediate Similarity NPC204848
0.7848 Intermediate Similarity NPC41473
0.7848 Intermediate Similarity NPC254610
0.7848 Intermediate Similarity NPC312770
0.7834 Intermediate Similarity NPC470881
0.7826 Intermediate Similarity NPC63628
0.7826 Intermediate Similarity NPC178466
0.7819 Intermediate Similarity NPC475768
0.7818 Intermediate Similarity NPC51328
0.7818 Intermediate Similarity NPC286235
0.7818 Intermediate Similarity NPC55158
0.7799 Intermediate Similarity NPC470413
0.7799 Intermediate Similarity NPC195196
0.7799 Intermediate Similarity NPC59324
0.7799 Intermediate Similarity NPC299583
0.7799 Intermediate Similarity NPC138738
0.7799 Intermediate Similarity NPC65530
0.7792 Intermediate Similarity NPC302378
0.7791 Intermediate Similarity NPC469586
0.7778 Intermediate Similarity NPC477898
0.7778 Intermediate Similarity NPC46092
0.7778 Intermediate Similarity NPC185307
0.7778 Intermediate Similarity NPC470950
0.7771 Intermediate Similarity NPC49074
0.7771 Intermediate Similarity NPC132895
0.7758 Intermediate Similarity NPC130449
0.7758 Intermediate Similarity NPC248132
0.7756 Intermediate Similarity NPC65942
0.7756 Intermediate Similarity NPC248307
0.775 Intermediate Similarity NPC477837
0.775 Intermediate Similarity NPC477838
0.7746 Intermediate Similarity NPC252960
0.7742 Intermediate Similarity NPC166040
0.7736 Intermediate Similarity NPC242028
0.7736 Intermediate Similarity NPC172818
0.7736 Intermediate Similarity NPC203230
0.7736 Intermediate Similarity NPC25695
0.773 Intermediate Similarity NPC283995
0.773 Intermediate Similarity NPC470235
0.773 Intermediate Similarity NPC129417
0.773 Intermediate Similarity NPC84181
0.7716 Intermediate Similarity NPC469559
0.7716 Intermediate Similarity NPC189115
0.7716 Intermediate Similarity NPC476356
0.7716 Intermediate Similarity NPC475084
0.7716 Intermediate Similarity NPC246947
0.7707 Intermediate Similarity NPC162093
0.7697 Intermediate Similarity NPC39657
0.7692 Intermediate Similarity NPC80600
0.7692 Intermediate Similarity NPC472024
0.7688 Intermediate Similarity NPC296898
0.7688 Intermediate Similarity NPC477798
0.7688 Intermediate Similarity NPC477797
0.7677 Intermediate Similarity NPC469977
0.7673 Intermediate Similarity NPC142547
0.7673 Intermediate Similarity NPC184938
0.7673 Intermediate Similarity NPC101624
0.7673 Intermediate Similarity NPC135777
0.7669 Intermediate Similarity NPC252169
0.7665 Intermediate Similarity NPC475224
0.7665 Intermediate Similarity NPC98624
0.7654 Intermediate Similarity NPC469661
0.7654 Intermediate Similarity NPC472711
0.7651 Intermediate Similarity NPC114659
0.7651 Intermediate Similarity NPC139699
0.764 Intermediate Similarity NPC226005
0.764 Intermediate Similarity NPC88640
0.764 Intermediate Similarity NPC100389
0.764 Intermediate Similarity NPC123526
0.764 Intermediate Similarity NPC193666
0.7628 Intermediate Similarity NPC26653
0.7628 Intermediate Similarity NPC270849
0.7627 Intermediate Similarity NPC187678
0.7625 Intermediate Similarity NPC164857
0.7625 Intermediate Similarity NPC177035
0.7625 Intermediate Similarity NPC52277
0.7625 Intermediate Similarity NPC199459
0.7622 Intermediate Similarity NPC25292
0.7622 Intermediate Similarity NPC473045
0.7614 Intermediate Similarity NPC477115
0.761 Intermediate Similarity NPC107478
0.761 Intermediate Similarity NPC35731
0.761 Intermediate Similarity NPC187194
0.761 Intermediate Similarity NPC251981
0.761 Intermediate Similarity NPC13745
0.761 Intermediate Similarity NPC48863
0.7607 Intermediate Similarity NPC157816
0.7607 Intermediate Similarity NPC302506
0.7607 Intermediate Similarity NPC253878
0.7595 Intermediate Similarity NPC299144
0.7595 Intermediate Similarity NPC470270
0.7593 Intermediate Similarity NPC177868
0.7593 Intermediate Similarity NPC226547
0.7593 Intermediate Similarity NPC195814
0.7593 Intermediate Similarity NPC106944
0.759 Intermediate Similarity NPC15956
0.759 Intermediate Similarity NPC275284
0.759 Intermediate Similarity NPC114505
0.759 Intermediate Similarity NPC213074
0.759 Intermediate Similarity NPC193473
0.759 Intermediate Similarity NPC227902
0.759 Intermediate Similarity NPC224674
0.759 Intermediate Similarity NPC31325
0.7586 Intermediate Similarity NPC90984
0.7578 Intermediate Similarity NPC36434
0.7576 Intermediate Similarity NPC475096
0.7572 Intermediate Similarity NPC218614
0.7562 Intermediate Similarity NPC470236
0.7561 Intermediate Similarity NPC298317
0.7561 Intermediate Similarity NPC185071
0.7561 Intermediate Similarity NPC12728
0.7561 Intermediate Similarity NPC473044
0.7561 Intermediate Similarity NPC478239
0.7561 Intermediate Similarity NPC255566
0.7548 Intermediate Similarity NPC251466
0.7547 Intermediate Similarity NPC294166
0.7547 Intermediate Similarity NPC169973
0.7547 Intermediate Similarity NPC115022
0.7547 Intermediate Similarity NPC69513
0.7547 Intermediate Similarity NPC215833
0.7546 Intermediate Similarity NPC471414
0.7545 Intermediate Similarity NPC304048
0.7545 Intermediate Similarity NPC226153
0.7545 Intermediate Similarity NPC478237
0.7545 Intermediate Similarity NPC175976
0.7545 Intermediate Similarity NPC301961
0.7545 Intermediate Similarity NPC166584
0.7543 Intermediate Similarity NPC100566
0.7542 Intermediate Similarity NPC15919
0.7532 Intermediate Similarity NPC166168
0.7532 Intermediate Similarity NPC9912
0.7532 Intermediate Similarity NPC214869
0.7531 Intermediate Similarity NPC77572
0.7531 Intermediate Similarity NPC298821
0.7531 Intermediate Similarity NPC156376
0.753 Intermediate Similarity NPC212890
0.753 Intermediate Similarity NPC476743
0.753 Intermediate Similarity NPC276753
0.753 Intermediate Similarity NPC99515
0.753 Intermediate Similarity NPC190714
0.753 Intermediate Similarity NPC205796
0.753 Intermediate Similarity NPC125755
0.7528 Intermediate Similarity NPC49353
0.7516 Intermediate Similarity NPC470633
0.7516 Intermediate Similarity NPC186418
0.7516 Intermediate Similarity NPC195749
0.7516 Intermediate Similarity NPC35961
0.7516 Intermediate Similarity NPC37468
0.7516 Intermediate Similarity NPC157554
0.7516 Intermediate Similarity NPC104167
0.7516 Intermediate Similarity NPC228769
0.7516 Intermediate Similarity NPC52029
0.7515 Intermediate Similarity NPC118385
0.7515 Intermediate Similarity NPC473046
0.7515 Intermediate Similarity NPC313414
0.7515 Intermediate Similarity NPC187774
0.7515 Intermediate Similarity NPC179521
0.7515 Intermediate Similarity NPC472712
0.7515 Intermediate Similarity NPC110063
0.7515 Intermediate Similarity NPC472713
0.7515 Intermediate Similarity NPC297342
0.7514 Intermediate Similarity NPC225597
0.7514 Intermediate Similarity NPC470739
0.7514 Intermediate Similarity NPC179250

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC198741 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
0.8198 Intermediate Similarity NPD7007 Discovery
0.7904 Intermediate Similarity NPD2977 Approved
0.7904 Intermediate Similarity NPD5773 Approved
0.7904 Intermediate Similarity NPD5772 Approved
0.7904 Intermediate Similarity NPD2978 Approved
0.7765 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD4236 Phase 3
0.7654 Intermediate Similarity NPD4237 Approved
0.7636 Intermediate Similarity NPD4123 Phase 3
0.7619 Intermediate Similarity NPD4675 Approved
0.7619 Intermediate Similarity NPD4678 Approved
0.759 Intermediate Similarity NPD7526 Approved
0.759 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD52 Approved
0.7582 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD1375 Discontinued
0.7456 Intermediate Similarity NPD4005 Discontinued
0.7407 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD7906 Approved
0.7362 Intermediate Similarity NPD2161 Phase 2
0.7358 Intermediate Similarity NPD3144 Approved
0.7358 Intermediate Similarity NPD3145 Approved
0.7337 Intermediate Similarity NPD4663 Approved
0.7312 Intermediate Similarity NPD2674 Phase 3
0.7297 Intermediate Similarity NPD6843 Phase 3
0.7297 Intermediate Similarity NPD6841 Approved
0.7297 Intermediate Similarity NPD6842 Approved
0.7235 Intermediate Similarity NPD2122 Discontinued
0.7219 Intermediate Similarity NPD4739 Approved
0.7193 Intermediate Similarity NPD1653 Approved
0.7188 Intermediate Similarity NPD3027 Phase 3
0.7186 Intermediate Similarity NPD6331 Phase 2
0.7174 Intermediate Similarity NPD4578 Approved
0.7174 Intermediate Similarity NPD4577 Approved
0.7126 Intermediate Similarity NPD3060 Approved
0.7126 Intermediate Similarity NPD4162 Approved
0.7111 Intermediate Similarity NPD2489 Approved
0.7111 Intermediate Similarity NPD27 Approved
0.7093 Intermediate Similarity NPD3687 Approved
0.7093 Intermediate Similarity NPD3686 Approved
0.7086 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7089 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD7153 Discontinued
0.7062 Intermediate Similarity NPD5604 Discontinued
0.7059 Intermediate Similarity NPD4357 Discontinued
0.7056 Intermediate Similarity NPD2969 Approved
0.7056 Intermediate Similarity NPD2970 Approved
0.7055 Intermediate Similarity NPD1558 Phase 1
0.7032 Intermediate Similarity NPD1357 Approved
0.7 Intermediate Similarity NPD3051 Approved
0.6989 Remote Similarity NPD7312 Approved
0.6989 Remote Similarity NPD7311 Approved
0.6989 Remote Similarity NPD7313 Approved
0.6989 Remote Similarity NPD7310 Approved
0.6965 Remote Similarity NPD7827 Phase 1
0.6952 Remote Similarity NPD7309 Approved
0.6952 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6951 Remote Similarity NPD1613 Approved
0.6951 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6949 Remote Similarity NPD2560 Approved
0.6949 Remote Similarity NPD2563 Approved
0.6941 Remote Similarity NPD2677 Approved
0.6941 Remote Similarity NPD5241 Discontinued
0.6932 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6234 Discontinued
0.6919 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6906 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6905 Remote Similarity NPD7266 Discontinued
0.6901 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6899 Remote Similarity NPD1091 Approved
0.6899 Remote Similarity NPD3705 Approved
0.6897 Remote Similarity NPD4210 Discontinued
0.689 Remote Similarity NPD554 Clinical (unspecified phase)
0.689 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6886 Remote Similarity NPD4108 Discontinued
0.6878 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7125 Discontinued
0.6872 Remote Similarity NPD4055 Discovery
0.6871 Remote Similarity NPD3179 Approved
0.6871 Remote Similarity NPD3180 Approved
0.686 Remote Similarity NPD1774 Approved
0.6848 Remote Similarity NPD7228 Approved
0.6848 Remote Similarity NPD3818 Discontinued
0.6848 Remote Similarity NPD2238 Phase 2
0.6842 Remote Similarity NPD3692 Discontinued
0.6842 Remote Similarity NPD2219 Phase 1
0.6823 Remote Similarity NPD7296 Approved
0.6821 Remote Similarity NPD3536 Discontinued
0.6816 Remote Similarity NPD4966 Approved
0.6816 Remote Similarity NPD4967 Phase 2
0.6816 Remote Similarity NPD4965 Approved
0.6813 Remote Similarity NPD7315 Approved
0.6813 Remote Similarity NPD9622 Approved
0.6813 Remote Similarity NPD3685 Discontinued
0.681 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6802 Remote Similarity NPD2493 Approved
0.6802 Remote Similarity NPD2494 Approved
0.6798 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6792 Remote Similarity NPD776 Approved
0.6788 Remote Similarity NPD839 Approved
0.6788 Remote Similarity NPD840 Approved
0.678 Remote Similarity NPD6072 Discontinued
0.6772 Remote Similarity NPD8053 Approved
0.6772 Remote Similarity NPD8054 Approved
0.6766 Remote Similarity NPD3052 Approved
0.6766 Remote Similarity NPD3054 Approved
0.6761 Remote Similarity NPD3111 Phase 1
0.675 Remote Similarity NPD2231 Phase 2
0.675 Remote Similarity NPD2235 Phase 2
0.6744 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6742 Remote Similarity NPD3382 Approved
0.6742 Remote Similarity NPD3384 Approved
0.6742 Remote Similarity NPD3383 Approved
0.6725 Remote Similarity NPD6674 Discontinued
0.6721 Remote Similarity NPD6071 Discontinued
0.672 Remote Similarity NPD7054 Approved
0.6718 Remote Similarity NPD5582 Discontinued
0.6717 Remote Similarity NPD3452 Approved
0.6717 Remote Similarity NPD3450 Approved
0.6708 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6707 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6707 Remote Similarity NPD596 Approved
0.6707 Remote Similarity NPD600 Approved
0.6706 Remote Similarity NPD2029 Clinical (unspecified phase)
0.67 Remote Similarity NPD4583 Approved
0.67 Remote Similarity NPD4582 Approved
0.6687 Remote Similarity NPD1130 Approved
0.6687 Remote Similarity NPD1423 Approved
0.6687 Remote Similarity NPD558 Phase 2
0.6687 Remote Similarity NPD1132 Approved
0.6687 Remote Similarity NPD1136 Approved
0.6685 Remote Similarity NPD4773 Phase 2
0.6685 Remote Similarity NPD4772 Phase 2
0.6684 Remote Similarity NPD7074 Phase 3
0.6684 Remote Similarity NPD7472 Approved
0.6667 Remote Similarity NPD7199 Phase 2
0.6667 Remote Similarity NPD2157 Approved
0.6667 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2922 Phase 1
0.665 Remote Similarity NPD4004 Approved
0.665 Remote Similarity NPD4002 Approved
0.6649 Remote Similarity NPD4481 Phase 3
0.6648 Remote Similarity NPD37 Approved
0.6647 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6647 Remote Similarity NPD3454 Phase 3
0.6647 Remote Similarity NPD3059 Approved
0.6647 Remote Similarity NPD3062 Approved
0.6647 Remote Similarity NPD3061 Approved
0.6646 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6632 Remote Similarity NPD2843 Phase 2
0.6632 Remote Similarity NPD2845 Phase 2
0.6632 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6629 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6628 Remote Similarity NPD5177 Phase 3
0.6627 Remote Similarity NPD601 Approved
0.6627 Remote Similarity NPD597 Approved
0.6627 Remote Similarity NPD1048 Approved
0.6627 Remote Similarity NPD598 Approved
0.6618 Remote Similarity NPD7047 Phase 3
0.6614 Remote Similarity NPD7039 Approved
0.6614 Remote Similarity NPD7038 Approved
0.6612 Remote Similarity NPD4666 Phase 3
0.6612 Remote Similarity NPD5677 Discontinued
0.6608 Remote Similarity NPD3656 Approved
0.66 Remote Similarity NPD5006 Approved
0.66 Remote Similarity NPD6823 Phase 2
0.66 Remote Similarity NPD5005 Approved
0.6599 Remote Similarity NPD2974 Approved
0.6599 Remote Similarity NPD2973 Approved
0.6599 Remote Similarity NPD2975 Approved
0.6592 Remote Similarity NPD5089 Approved
0.6592 Remote Similarity NPD5090 Approved
0.6585 Remote Similarity NPD6584 Phase 3
0.6582 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7549 Discontinued
0.6579 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6579 Remote Similarity NPD3936 Clinical (unspecified phase)
0.6573 Remote Similarity NPD3455 Phase 2
0.6571 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6568 Remote Similarity NPD2492 Phase 1
0.6568 Remote Similarity NPD817 Approved
0.6568 Remote Similarity NPD5314 Approved
0.6568 Remote Similarity NPD823 Approved
0.6566 Remote Similarity NPD4420 Approved
0.6562 Remote Similarity NPD9384 Approved
0.6562 Remote Similarity NPD9381 Approved
0.6561 Remote Similarity NPD6797 Phase 2
0.6559 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6557 Remote Similarity NPD5709 Phase 3
0.655 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6548 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6545 Remote Similarity NPD1712 Approved
0.6545 Remote Similarity NPD7281 Phase 3
0.6545 Remote Similarity NPD7280 Phase 3
0.6545 Remote Similarity NPD4993 Discontinued
0.6536 Remote Similarity NPD3296 Phase 1
0.6534 Remote Similarity NPD3985 Discontinued
0.6527 Remote Similarity NPD3056 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44331810
ChEMBL   CHEMBL318497
ZINC  

Physicochemical Properties

Molecular Weight:  513.18
ALogP:  -3.433
MLogP:  2.56
XLogP:  -1.377
# Rotatable Bonds:  16
Polar Surface Area:  211.12
# H-Bond Aceptor:  11
# H-Bond Donor:  8
# Rings:  4
# Heavy Atoms:  36

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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