Natural Product: NPC474650

Natural Product ID:  NPC474650
Common Name:   (1R,2S,3S,4S,4Ar,11Br)-1-Hydroxy-6-Oxo-1,2,3,4,4A,5,6,11B-Octahydro-[1,3]Dioxolo[4,5-J]Phenanthridine-2,3,4-Triyl Triacetate
IUPAC Name:   [(1R,2S,3S,4S,4aR,11bR)-2,3-diacetyloxy-1-hydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl] acetate
Synonyms:  
Molecular Formula:   C20H21NO10
Standard InCHIKey:  PNXJTICIFJPDLW-VWQYPGANSA-N
Standard InCHI:  InChI=1S/C20H21NO10/c1-7(22)29-17-15-14(16(25)18(30-8(2)23)19(17)31-9(3)24)10-4-12-13(28-6-27-12)5-11(10)20(26)21-15/h4-5,14-19,25H,6H2,1-3H3,(H,21,26)/t14-,15-,16-,17+,18+,19+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1[C@@H](OC(=O)C)[C@H](O)[C@H]2[C@H]([C@@H]1OC(=O)C)N=C(c1c2cc2OCOc2c1)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
NPO33168 amaryllidaceae isoquinoline Species Amaryllidaceae Eukaryota PMID[1336040]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT33 Organism Japanese encephalitis virus Japanese encephalitis virus IC50 = 4.5 ug/ml 17118653
NPT341 Organism Punta Toro virus Punta Toro virus IC50 = 2.5 ug/ml 11087618
NPT4328 Organism Dengue virus type 4 Dengue virus 4 IC50 < 5 ug/ml 18500841
NPT4327 Organism Yellow fever virus Yellow fever virus IC50 = 2.2 ug/ml DrugMatrix in vivo data: Hematology

  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 NPC474650 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
0.9939 High Similarity NPC474607
0.9878 High Similarity NPC475794
0.939 High Similarity NPC304846
0.9357 High Similarity NPC474661
0.9357 High Similarity NPC475919
0.9277 High Similarity NPC474953
0.9268 High Similarity NPC89199
0.9268 High Similarity NPC54125
0.9059 High Similarity NPC1291
0.9059 High Similarity NPC115343
0.8941 High Similarity NPC110374
0.8941 High Similarity NPC289743
0.8795 High Similarity NPC69360
0.8703 High Similarity NPC475768
0.8547 High Similarity NPC182257
0.843 Intermediate Similarity NPC198741
0.8146 Intermediate Similarity NPC187678
0.8136 Intermediate Similarity NPC477115
0.8033 Intermediate Similarity NPC34780
0.8 Intermediate Similarity NPC237044
0.7988 Intermediate Similarity NPC77572
0.7956 Intermediate Similarity NPC474325
0.7944 Intermediate Similarity NPC304675
0.7912 Intermediate Similarity NPC474745
0.7889 Intermediate Similarity NPC474051
0.7886 Intermediate Similarity NPC4304
0.788 Intermediate Similarity NPC474746
0.788 Intermediate Similarity NPC475981
0.7857 Intermediate Similarity NPC15919
0.7778 Intermediate Similarity NPC311991
0.7765 Intermediate Similarity NPC100566
0.7765 Intermediate Similarity NPC252960
0.7742 Intermediate Similarity NPC9867
0.7705 Intermediate Similarity NPC474470
0.7704 Intermediate Similarity NPC11708
0.7701 Intermediate Similarity NPC230098
0.7697 Intermediate Similarity NPC218614
0.7692 Intermediate Similarity NPC2314
0.7674 Intermediate Similarity NPC316676
0.7674 Intermediate Similarity NPC325720
0.7674 Intermediate Similarity NPC182119
0.767 Intermediate Similarity NPC156348
0.7667 Intermediate Similarity NPC181653
0.7667 Intermediate Similarity NPC190332
0.7667 Intermediate Similarity NPC57812
0.7667 Intermediate Similarity NPC474324
0.7654 Intermediate Similarity NPC180306
0.7651 Intermediate Similarity NPC254610
0.7647 Intermediate Similarity NPC313414
0.7637 Intermediate Similarity NPC65403
0.7633 Intermediate Similarity NPC178466
0.7633 Intermediate Similarity NPC63628
0.7624 Intermediate Similarity NPC475845
0.7622 Intermediate Similarity NPC99179
0.7619 Intermediate Similarity NPC470642
0.7594 Intermediate Similarity NPC156576
0.7586 Intermediate Similarity NPC24425
0.7586 Intermediate Similarity NPC474560
0.7586 Intermediate Similarity NPC473989
0.7582 Intermediate Similarity NPC474708
0.7568 Intermediate Similarity NPC294790
0.7568 Intermediate Similarity NPC118633
0.7568 Intermediate Similarity NPC148693
0.7558 Intermediate Similarity NPC212890
0.7552 Intermediate Similarity NPC33256
0.7543 Intermediate Similarity NPC475756
0.7541 Intermediate Similarity NPC225597
0.7541 Intermediate Similarity NPC470739
0.7541 Intermediate Similarity NPC477640
0.754 Intermediate Similarity NPC248642
0.7529 Intermediate Similarity NPC287124
0.7514 Intermediate Similarity NPC476002
0.75 Intermediate Similarity NPC477702
0.75 Intermediate Similarity NPC320104
0.75 Intermediate Similarity NPC471154
0.75 Intermediate Similarity NPC228040
0.7486 Intermediate Similarity NPC474475
0.7475 Intermediate Similarity NPC80472
0.7459 Intermediate Similarity NPC49353
0.7458 Intermediate Similarity NPC24562
0.7458 Intermediate Similarity NPC245948
0.7458 Intermediate Similarity NPC474606
0.7446 Intermediate Similarity NPC231371
0.7443 Intermediate Similarity NPC224472
0.7442 Intermediate Similarity NPC477701
0.7442 Intermediate Similarity NPC141569
0.7442 Intermediate Similarity NPC166884
0.7433 Intermediate Similarity NPC244554
0.7433 Intermediate Similarity NPC126284
0.7432 Intermediate Similarity NPC266176
0.7432 Intermediate Similarity NPC82533
0.7432 Intermediate Similarity NPC58766
0.7432 Intermediate Similarity NPC290759
0.7432 Intermediate Similarity NPC158148
0.7432 Intermediate Similarity NPC475686
0.743 Intermediate Similarity NPC329837
0.743 Intermediate Similarity NPC32373
0.743 Intermediate Similarity NPC237946
0.7421 Intermediate Similarity NPC214116
0.7418 Intermediate Similarity NPC90984
0.7418 Intermediate Similarity NPC329717
0.7418 Intermediate Similarity NPC68328
0.7416 Intermediate Similarity NPC473425
0.7416 Intermediate Similarity NPC312763
0.7403 Intermediate Similarity NPC150943
0.7403 Intermediate Similarity NPC189782
0.7403 Intermediate Similarity NPC91634
0.7403 Intermediate Similarity NPC268718
0.7401 Intermediate Similarity NPC302610
0.7396 Intermediate Similarity NPC299583
0.7394 Intermediate Similarity NPC315913
0.7389 Intermediate Similarity NPC205167
0.7389 Intermediate Similarity NPC19947
0.7389 Intermediate Similarity NPC207584
0.7389 Intermediate Similarity NPC249274
0.7384 Intermediate Similarity NPC76415
0.7384 Intermediate Similarity NPC218510
0.7384 Intermediate Similarity NPC324962
0.7382 Intermediate Similarity NPC237579
0.7374 Intermediate Similarity NPC238834
0.7374 Intermediate Similarity NPC476065
0.7368 Intermediate Similarity NPC472711
0.7365 Intermediate Similarity NPC284855
0.7365 Intermediate Similarity NPC282477
0.736 Intermediate Similarity NPC297271
0.736 Intermediate Similarity NPC308739
0.736 Intermediate Similarity NPC126405
0.736 Intermediate Similarity NPC77237
0.736 Intermediate Similarity NPC53669
0.736 Intermediate Similarity NPC16791
0.736 Intermediate Similarity NPC217708
0.7358 Intermediate Similarity NPC94499
0.7356 Intermediate Similarity NPC115144
0.7356 Intermediate Similarity NPC277857
0.7354 Intermediate Similarity NPC275132
0.7348 Intermediate Similarity NPC215400
0.7348 Intermediate Similarity NPC230531
0.7348 Intermediate Similarity NPC15506
0.7341 Intermediate Similarity NPC326144
0.7341 Intermediate Similarity NPC472712
0.7341 Intermediate Similarity NPC118385
0.7341 Intermediate Similarity NPC473046
0.7341 Intermediate Similarity NPC187774
0.7341 Intermediate Similarity NPC472713
0.734 Intermediate Similarity NPC314213
0.7337 Intermediate Similarity NPC471988
0.7337 Intermediate Similarity NPC160607
0.7337 Intermediate Similarity NPC204848
0.7337 Intermediate Similarity NPC41473
0.7337 Intermediate Similarity NPC312770
0.7337 Intermediate Similarity NPC14600
0.7333 Intermediate Similarity NPC473323
0.7326 Intermediate Similarity NPC230538
0.7326 Intermediate Similarity NPC229172
0.7326 Intermediate Similarity NPC36531
0.7326 Intermediate Similarity NPC103637
0.7321 Intermediate Similarity NPC67247
0.7318 Intermediate Similarity NPC198461
0.7314 Intermediate Similarity NPC471032
0.7314 Intermediate Similarity NPC470935
0.7308 Intermediate Similarity NPC119910
0.7306 Intermediate Similarity NPC319549
0.7303 Intermediate Similarity NPC478268
0.7303 Intermediate Similarity NPC18249
0.7303 Intermediate Similarity NPC140915
0.7303 Intermediate Similarity NPC305700
0.7303 Intermediate Similarity NPC187028
0.7303 Intermediate Similarity NPC197741
0.7303 Intermediate Similarity NPC10221
0.7299 Intermediate Similarity NPC476301
0.7299 Intermediate Similarity NPC43508
0.7299 Intermediate Similarity NPC110763
0.7299 Intermediate Similarity NPC189239
0.7299 Intermediate Similarity NPC318286
0.7299 Intermediate Similarity NPC475868
0.7299 Intermediate Similarity NPC197352
0.7299 Intermediate Similarity NPC327651
0.7299 Intermediate Similarity NPC166506
0.7294 Intermediate Similarity NPC474039
0.7293 Intermediate Similarity NPC475592
0.7288 Intermediate Similarity NPC229882
0.7288 Intermediate Similarity NPC158635
0.7288 Intermediate Similarity NPC127402
0.7287 Intermediate Similarity NPC114364
0.7287 Intermediate Similarity NPC320223
0.7286 Intermediate Similarity NPC159101
0.7283 Intermediate Similarity NPC477898
0.7283 Intermediate Similarity NPC470950
0.7283 Intermediate Similarity NPC116759
0.7283 Intermediate Similarity NPC265154
0.7283 Intermediate Similarity NPC185307
0.7283 Intermediate Similarity NPC14294
0.7278 Intermediate Similarity NPC174191
0.7278 Intermediate Similarity NPC184938
0.7278 Intermediate Similarity NPC101624
0.7273 Intermediate Similarity NPC474940
0.7273 Intermediate Similarity NPC128560
0.7273 Intermediate Similarity NPC159697
0.7273 Intermediate Similarity NPC130959
0.7273 Intermediate Similarity NPC474795

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474650 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
0.8107 Intermediate Similarity NPD4005 Discontinued
0.8101 Intermediate Similarity NPD7007 Discovery
0.7886 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7801 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD7243 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD4663 Approved
0.7458 Intermediate Similarity NPD37 Approved
0.743 Intermediate Similarity NPD4965 Approved
0.743 Intermediate Similarity NPD4966 Approved
0.743 Intermediate Similarity NPD4967 Phase 2
0.7427 Intermediate Similarity NPD6658 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD7827 Phase 1
0.7421 Intermediate Similarity NPD6842 Approved
0.7421 Intermediate Similarity NPD7906 Approved
0.7421 Intermediate Similarity NPD6843 Phase 3
0.7421 Intermediate Similarity NPD6841 Approved
0.7416 Intermediate Similarity NPD2978 Approved
0.7416 Intermediate Similarity NPD5772 Approved
0.7416 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD2977 Approved
0.7416 Intermediate Similarity NPD5773 Approved
0.7377 Intermediate Similarity NPD2970 Approved
0.7377 Intermediate Similarity NPD2969 Approved
0.7368 Intermediate Similarity NPD4236 Phase 3
0.7368 Intermediate Similarity NPD4237 Approved
0.7353 Intermediate Similarity NPD1375 Discontinued
0.7348 Intermediate Similarity NPD6234 Discontinued
0.7337 Intermediate Similarity NPD4481 Phase 3
0.7326 Intermediate Similarity NPD6331 Phase 2
0.7322 Intermediate Similarity NPD3051 Approved
0.7314 Intermediate Similarity NPD7526 Approved
0.7314 Intermediate Similarity NPD52 Approved
0.7314 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD7296 Approved
0.7302 Intermediate Similarity NPD4577 Approved
0.7302 Intermediate Similarity NPD4578 Approved
0.7263 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD4123 Phase 3
0.7247 Intermediate Similarity NPD4675 Approved
0.7247 Intermediate Similarity NPD4678 Approved
0.7243 Intermediate Similarity NPD27 Approved
0.7243 Intermediate Similarity NPD2489 Approved
0.7166 Intermediate Similarity NPD7228 Approved
0.7159 Intermediate Similarity NPD4739 Approved
0.715 Intermediate Similarity NPD5006 Approved
0.715 Intermediate Similarity NPD5005 Approved
0.7121 Intermediate Similarity NPD4420 Approved
0.712 Intermediate Similarity NPD7313 Approved
0.712 Intermediate Similarity NPD7310 Approved
0.712 Intermediate Similarity NPD7312 Approved
0.712 Intermediate Similarity NPD7311 Approved
0.7104 Intermediate Similarity NPD4055 Discovery
0.7093 Intermediate Similarity NPD2161 Phase 2
0.7086 Intermediate Similarity NPD5241 Discontinued
0.7086 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7309 Approved
0.7081 Intermediate Similarity NPD7199 Phase 2
0.7043 Intermediate Similarity NPD7315 Approved
0.7039 Intermediate Similarity NPD3686 Approved
0.7039 Intermediate Similarity NPD3687 Approved
0.7035 Intermediate Similarity NPD4108 Discontinued
0.7027 Intermediate Similarity NPD6746 Phase 2
0.7022 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD5090 Approved
0.7017 Intermediate Similarity NPD5089 Approved
0.7015 Intermediate Similarity NPD2493 Approved
0.7015 Intermediate Similarity NPD2494 Approved
0.7011 Intermediate Similarity NPD5604 Discontinued
0.7 Intermediate Similarity NPD2238 Phase 2
0.6995 Remote Similarity NPD2560 Approved
0.6995 Remote Similarity NPD4583 Approved
0.6995 Remote Similarity NPD2563 Approved
0.6995 Remote Similarity NPD4582 Approved
0.6989 Remote Similarity NPD3692 Discontinued
0.6989 Remote Similarity NPD6107 Approved
0.6985 Remote Similarity NPD2974 Approved
0.6985 Remote Similarity NPD2973 Approved
0.6985 Remote Similarity NPD2975 Approved
0.6979 Remote Similarity NPD7549 Discontinued
0.6978 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6965 Remote Similarity NPD4580 Approved
0.6954 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6951 Remote Similarity NPD3705 Approved
0.6949 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6946 Remote Similarity NPD4004 Approved
0.6946 Remote Similarity NPD4002 Approved
0.6944 Remote Similarity NPD4210 Discontinued
0.6944 Remote Similarity NPD1653 Approved
0.6935 Remote Similarity NPD4666 Phase 3
0.6931 Remote Similarity NPD3450 Approved
0.6931 Remote Similarity NPD3452 Approved
0.6927 Remote Similarity NPD7240 Approved
0.6927 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4772 Phase 2
0.6923 Remote Similarity NPD4773 Phase 2
0.6915 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6893 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6889 Remote Similarity NPD2122 Discontinued
0.6882 Remote Similarity NPD5709 Phase 3
0.6875 Remote Similarity NPD6674 Discontinued
0.6872 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6862 Remote Similarity NPD6071 Discontinued
0.686 Remote Similarity NPD8151 Discontinued
0.685 Remote Similarity NPD5582 Discontinued
0.6848 Remote Similarity NPD7089 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2674 Phase 3
0.6837 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6833 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7565 Approved
0.6825 Remote Similarity NPD7047 Phase 3
0.6823 Remote Similarity NPD5557 Phase 1
0.6818 Remote Similarity NPD2488 Approved
0.6818 Remote Similarity NPD2490 Approved
0.6814 Remote Similarity NPD6823 Phase 2
0.6806 Remote Similarity NPD3909 Discontinued
0.6798 Remote Similarity NPD2677 Approved
0.6798 Remote Similarity NPD2219 Phase 1
0.6798 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6796 Remote Similarity NPD7999 Approved
0.6792 Remote Similarity NPD8404 Phase 2
0.6784 Remote Similarity NPD3144 Approved
0.6784 Remote Similarity NPD3145 Approved
0.678 Remote Similarity NPD5177 Phase 3
0.678 Remote Similarity NPD3060 Approved
0.6778 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7930 Approved
0.6769 Remote Similarity NPD7281 Phase 3
0.6769 Remote Similarity NPD7280 Phase 3
0.6768 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7266 Discontinued
0.676 Remote Similarity NPD6666 Approved
0.676 Remote Similarity NPD6667 Approved
0.6757 Remote Similarity NPD6818 Clinical (unspecified phase)
0.675 Remote Similarity NPD7125 Discontinued
0.6746 Remote Similarity NPD7874 Approved
0.6746 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6739 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6735 Remote Similarity NPD8053 Approved
0.6735 Remote Similarity NPD8054 Approved
0.6725 Remote Similarity NPD3027 Phase 3
0.6723 Remote Similarity NPD7153 Discontinued
0.6723 Remote Similarity NPD4664 Clinical (unspecified phase)
0.6722 Remote Similarity NPD4357 Discontinued
0.6722 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6719 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6714 Remote Similarity NPD7801 Approved
0.6701 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1048 Approved
0.6685 Remote Similarity NPD4584 Approved
0.6685 Remote Similarity NPD4162 Approved
0.6685 Remote Similarity NPD3536 Discontinued
0.6684 Remote Similarity NPD2971 Approved
0.6684 Remote Similarity NPD2968 Approved
0.6683 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6682 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6625 Approved
0.6667 Remote Similarity NPD7201 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7038 Approved
0.6667 Remote Similarity NPD7039 Approved
0.6649 Remote Similarity NPD6072 Discontinued
0.6649 Remote Similarity NPD6385 Approved
0.6649 Remote Similarity NPD6386 Approved
0.6648 Remote Similarity NPD1753 Discontinued
0.6648 Remote Similarity NPD2675 Approved
0.6648 Remote Similarity NPD2676 Approved
0.6647 Remote Similarity NPD840 Approved
0.6647 Remote Similarity NPD554 Clinical (unspecified phase)
0.6647 Remote Similarity NPD839 Approved
0.6635 Remote Similarity NPD7783 Phase 2
0.6635 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6634 Remote Similarity NPD3473 Clinical (unspecified phase)
0.6633 Remote Similarity NPD3936 Clinical (unspecified phase)
0.6632 Remote Similarity NPD3818 Discontinued
0.663 Remote Similarity NPD3455 Phase 2
0.6629 Remote Similarity NPD2157 Approved
0.6629 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6629 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6628 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6618 Remote Similarity NPD7497 Discontinued
0.6615 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6613 Remote Similarity NPD3384 Approved
0.6613 Remote Similarity NPD3382 Approved
0.6613 Remote Similarity NPD3383 Approved
0.6613 Remote Similarity NPD4433 Discontinued
0.6612 Remote Similarity NPD4727 Phase 1
0.661 Remote Similarity NPD6032 Approved
0.6608 Remote Similarity NPD1712 Approved
0.66 Remote Similarity NPD2843 Phase 2
0.66 Remote Similarity NPD2845 Phase 2
0.6598 Remote Similarity NPD8156 Discontinued
0.6598 Remote Similarity NPD5313 Approved
0.6598 Remote Similarity NPD5312 Approved
0.6598 Remote Similarity NPD6042 Phase 2
0.6598 Remote Similarity NPD42 Phase 2
0.6598 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6597 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6595 Remote Similarity NPD6502 Phase 2
0.659 Remote Similarity NPD5111 Phase 2
0.659 Remote Similarity NPD5109 Approved

Structure

External Identifiers

PubChem CID   44584630
ChEMBL   CHEMBL478100
ZINC  

Physicochemical Properties

Molecular Weight:  435.12
ALogP:  -1.7584
MLogP:  2.45
XLogP:  0.416
# Rotatable Bonds:  11
Polar Surface Area:  150.18
# H-Bond Aceptor:  9
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  31

Download Data

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