Natural Product: NPC473531

Natural Product ID:  NPC473531
Common Name:   [(2S,3R,4R,5S,6R)-4,5-Diacetyloxy-6-[[9-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-1-Oxo-3H-Benzo[F][2]Benzofuran-4-Yl]Oxy]-2-Methyloxan-3-Yl] Acetate
IUPAC Name:   [(2S,3R,4R,5S,6R)-4,5-diacetyloxy-6-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f][2]benzofuran-4-yl]oxy]-2-methyloxan-3-yl] acetate
Synonyms:  
Molecular Formula:   C33H32O14
Standard InCHIKey:  BWGZOLFCSSJAKB-SNNYXJDNSA-N
Standard InCHI:  InChI=1S/C33H32O14/c1-14-28(44-15(2)34)30(45-16(3)35)31(46-17(4)36)33(43-14)47-29-20-11-24(39-6)23(38-5)10-19(20)26(27-21(29)12-40-32(27)37)18-7-8-22-25(9-18)42-13-41-22/h7-11,14,28,30-31,33H,12-13H2,1-6H3/t14-,28+,30+,31-,33+/m0/s1
Canonical SMILES:  COc1cc2c(O[C@H]3O[C@@H](C)[C@H]([C@H]([C@@H]3OC(=O)C)OC(=O)C)OC(=O)C)c3COC(=O)c3c(c2cc1OC)c1ccc2c(c1)OCO2
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
NPO20590 Justicia patentiflora Species Acanthaceae Eukaryota Vietnam PMID[15921419]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens IC50 = 45 nM 26026364
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 35 nM 11520227
NPT91 Cell Line KB Homo sapiens IC50 = 20 nM 7525959

  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 NPC473531 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
1.0 High Similarity NPC475453
0.9936 High Similarity NPC471923
0.9812 High Similarity NPC473697
0.9568 High Similarity NPC312006
0.9568 High Similarity NPC471922
0.9568 High Similarity NPC471920
0.9568 High Similarity NPC129930
0.9568 High Similarity NPC292712
0.9568 High Similarity NPC20114
0.9568 High Similarity NPC471921
0.9568 High Similarity NPC474075
0.9568 High Similarity NPC114550
0.9515 High Similarity NPC275690
0.9515 High Similarity NPC161609
0.9455 High Similarity NPC35266
0.9427 High Similarity NPC239113
0.9427 High Similarity NPC115123
0.9345 High Similarity NPC167045
0.9345 High Similarity NPC114120
0.9273 High Similarity NPC184624
0.925 High Similarity NPC78944
0.9245 High Similarity NPC19600
0.9235 High Similarity NPC286301
0.9235 High Similarity NPC313063
0.9217 High Similarity NPC193377
0.9187 High Similarity NPC474043
0.9136 High Similarity NPC116838
0.9136 High Similarity NPC22130
0.9074 High Similarity NPC15212
0.9045 High Similarity NPC475722
0.9 High Similarity NPC234730
0.897 High Similarity NPC474042
0.897 High Similarity NPC174734
0.8938 High Similarity NPC54179
0.8922 High Similarity NPC52598
0.8902 High Similarity NPC198796
0.8862 High Similarity NPC117911
0.8861 High Similarity NPC127827
0.8841 High Similarity NPC319749
0.8841 High Similarity NPC258322
0.8841 High Similarity NPC191352
0.8834 High Similarity NPC125713
0.8827 High Similarity NPC473900
0.8817 High Similarity NPC316539
0.8812 High Similarity NPC118332
0.8795 High Similarity NPC222531
0.878 High Similarity NPC65784
0.8773 High Similarity NPC82733
0.8773 High Similarity NPC76458
0.8713 High Similarity NPC67629
0.8713 High Similarity NPC79736
0.8713 High Similarity NPC196771
0.8683 High Similarity NPC477884
0.8679 High Similarity NPC181464
0.8663 High Similarity NPC267549
0.8659 High Similarity NPC143328
0.8634 High Similarity NPC13985
0.8634 High Similarity NPC210642
0.8625 High Similarity NPC24193
0.8614 High Similarity NPC152424
0.8614 High Similarity NPC309335
0.8614 High Similarity NPC115624
0.8614 High Similarity NPC100465
0.8614 High Similarity NPC296540
0.8598 High Similarity NPC261484
0.8598 High Similarity NPC109765
0.8589 High Similarity NPC273578
0.858 High Similarity NPC79322
0.8571 High Similarity NPC300983
0.8571 High Similarity NPC149505
0.8563 High Similarity NPC208797
0.8563 High Similarity NPC19948
0.8563 High Similarity NPC280778
0.8563 High Similarity NPC53680
0.8547 High Similarity NPC476358
0.8545 High Similarity NPC202495
0.8521 High Similarity NPC320471
0.8521 High Similarity NPC306475
0.8521 High Similarity NPC83049
0.8521 High Similarity NPC118162
0.8512 High Similarity NPC17432
0.8506 High Similarity NPC472726
0.8506 High Similarity NPC472725
0.8494 Intermediate Similarity NPC15764
0.8488 Intermediate Similarity NPC199357
0.8485 Intermediate Similarity NPC301897
0.848 Intermediate Similarity NPC135370
0.8476 Intermediate Similarity NPC348849
0.8476 Intermediate Similarity NPC178195
0.8466 Intermediate Similarity NPC474442
0.8466 Intermediate Similarity NPC104353
0.8452 Intermediate Similarity NPC22324
0.8448 Intermediate Similarity NPC47191
0.8443 Intermediate Similarity NPC119910
0.8443 Intermediate Similarity NPC96593
0.8443 Intermediate Similarity NPC139876
0.8439 Intermediate Similarity NPC146803
0.8434 Intermediate Similarity NPC207584
0.8434 Intermediate Similarity NPC19947
0.843 Intermediate Similarity NPC38438
0.8427 Intermediate Similarity NPC205721
0.8424 Intermediate Similarity NPC222185
0.8421 Intermediate Similarity NPC477165
0.8418 Intermediate Similarity NPC241847
0.8415 Intermediate Similarity NPC477377
0.8409 Intermediate Similarity NPC476203
0.8405 Intermediate Similarity NPC303519
0.8402 Intermediate Similarity NPC14294
0.8402 Intermediate Similarity NPC116759
0.8393 Intermediate Similarity NPC288149
0.8393 Intermediate Similarity NPC239890
0.8393 Intermediate Similarity NPC216916
0.8393 Intermediate Similarity NPC209411
0.8385 Intermediate Similarity NPC101755
0.8385 Intermediate Similarity NPC304687
0.8385 Intermediate Similarity NPC104024
0.8385 Intermediate Similarity NPC80230
0.8385 Intermediate Similarity NPC65574
0.8383 Intermediate Similarity NPC173726
0.8383 Intermediate Similarity NPC478269
0.8383 Intermediate Similarity NPC241600
0.8383 Intermediate Similarity NPC325122
0.8382 Intermediate Similarity NPC477881
0.8373 Intermediate Similarity NPC155063
0.8373 Intermediate Similarity NPC237946
0.8373 Intermediate Similarity NPC32373
0.8372 Intermediate Similarity NPC477573
0.8372 Intermediate Similarity NPC477571
0.8372 Intermediate Similarity NPC477572
0.8372 Intermediate Similarity NPC179240
0.8371 Intermediate Similarity NPC105591
0.8363 Intermediate Similarity NPC311912
0.8363 Intermediate Similarity NPC298847
0.8363 Intermediate Similarity NPC185498
0.8354 Intermediate Similarity NPC477378
0.8354 Intermediate Similarity NPC475229
0.8353 Intermediate Similarity NPC178281
0.8344 Intermediate Similarity NPC158635
0.8344 Intermediate Similarity NPC229882
0.8343 Intermediate Similarity NPC477882
0.8343 Intermediate Similarity NPC414831
0.8343 Intermediate Similarity NPC477880
0.8333 Intermediate Similarity NPC474770
0.8333 Intermediate Similarity NPC264302
0.8323 Intermediate Similarity NPC477885
0.8314 Intermediate Similarity NPC88557
0.8314 Intermediate Similarity NPC473202
0.8313 Intermediate Similarity NPC202249
0.8313 Intermediate Similarity NPC3273
0.8313 Intermediate Similarity NPC188962
0.8313 Intermediate Similarity NPC42871
0.8303 Intermediate Similarity NPC308555
0.8295 Intermediate Similarity NPC212290
0.8295 Intermediate Similarity NPC80956
0.8294 Intermediate Similarity NPC45943
0.8294 Intermediate Similarity NPC25889
0.8286 Intermediate Similarity NPC469397
0.8286 Intermediate Similarity NPC475054
0.8286 Intermediate Similarity NPC297574
0.8286 Intermediate Similarity NPC472723
0.8284 Intermediate Similarity NPC34376
0.8284 Intermediate Similarity NPC478267
0.8282 Intermediate Similarity NPC262455
0.8282 Intermediate Similarity NPC177476
0.8274 Intermediate Similarity NPC50430
0.8266 Intermediate Similarity NPC180768
0.8266 Intermediate Similarity NPC298778
0.8266 Intermediate Similarity NPC477883
0.8263 Intermediate Similarity NPC11411
0.8263 Intermediate Similarity NPC477380
0.8263 Intermediate Similarity NPC261090
0.8263 Intermediate Similarity NPC228357
0.8249 Intermediate Similarity NPC475161
0.8249 Intermediate Similarity NPC8940
0.8249 Intermediate Similarity NPC477860
0.8249 Intermediate Similarity NPC188217
0.8246 Intermediate Similarity NPC474301
0.8235 Intermediate Similarity NPC146837
0.8235 Intermediate Similarity NPC278329
0.8235 Intermediate Similarity NPC56735
0.8235 Intermediate Similarity NPC61141
0.8235 Intermediate Similarity NPC61594
0.8235 Intermediate Similarity NPC249070
0.8232 Intermediate Similarity NPC474305
0.8232 Intermediate Similarity NPC316989
0.8229 Intermediate Similarity NPC186800
0.8229 Intermediate Similarity NPC199533
0.8229 Intermediate Similarity NPC470667
0.8229 Intermediate Similarity NPC63105
0.8229 Intermediate Similarity NPC470454
0.8229 Intermediate Similarity NPC68381
0.8225 Intermediate Similarity NPC47623
0.8225 Intermediate Similarity NPC91634
0.8225 Intermediate Similarity NPC477164
0.8225 Intermediate Similarity NPC268718
0.8225 Intermediate Similarity NPC150943
0.8221 Intermediate Similarity NPC40654
0.8221 Intermediate Similarity NPC262804
0.8214 Intermediate Similarity NPC115281
0.8214 Intermediate Similarity NPC133984

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473531 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
0.8421 Intermediate Similarity NPD5844 Phase 1
0.8373 Intermediate Similarity NPD4967 Phase 2
0.8373 Intermediate Similarity NPD4965 Approved
0.8373 Intermediate Similarity NPD4966 Approved
0.8363 Intermediate Similarity NPD7228 Approved
0.8274 Intermediate Similarity NPD6234 Discontinued
0.8193 Intermediate Similarity NPD37 Approved
0.8182 Intermediate Similarity NPD8312 Approved
0.8182 Intermediate Similarity NPD8313 Approved
0.8171 Intermediate Similarity NPD7240 Approved
0.8156 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD8455 Phase 2
0.8129 Intermediate Similarity NPD6232 Discontinued
0.811 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD7473 Discontinued
0.807 Intermediate Similarity NPD7199 Phase 2
0.8068 Intermediate Similarity NPD6559 Discontinued
0.8012 Intermediate Similarity NPD5494 Approved
0.7989 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7977 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7941 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7074 Phase 3
0.7841 Intermediate Similarity NPD3818 Discontinued
0.7824 Intermediate Similarity NPD7819 Suspended
0.7798 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD7054 Approved
0.7791 Intermediate Similarity NPD6674 Discontinued
0.7753 Intermediate Similarity NPD7472 Approved
0.7722 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD7808 Phase 3
0.7667 Intermediate Similarity NPD7685 Pre-registration
0.7657 Intermediate Similarity NPD6959 Discontinued
0.7657 Intermediate Similarity NPD8127 Discontinued
0.7644 Intermediate Similarity NPD7680 Approved
0.7641 Intermediate Similarity NPD7783 Phase 2
0.7641 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD1465 Phase 2
0.7598 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD1933 Approved
0.7572 Intermediate Similarity NPD3817 Phase 2
0.7569 Intermediate Similarity NPD7251 Discontinued
0.7566 Intermediate Similarity NPD4420 Approved
0.756 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD8151 Discontinued
0.7529 Intermediate Similarity NPD7768 Phase 2
0.7528 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD6166 Phase 2
0.7526 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD6797 Phase 2
0.7514 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2438 Suspended
0.7486 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD3226 Approved
0.7485 Intermediate Similarity NPD7458 Discontinued
0.7471 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD1934 Approved
0.7455 Intermediate Similarity NPD2346 Discontinued
0.7443 Intermediate Similarity NPD919 Approved
0.7439 Intermediate Similarity NPD3748 Approved
0.7416 Intermediate Similarity NPD7229 Phase 3
0.7414 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7409 Intermediate Similarity NPD5006 Approved
0.7409 Intermediate Similarity NPD5005 Approved
0.7399 Intermediate Similarity NPD7411 Suspended
0.7386 Intermediate Similarity NPD7075 Discontinued
0.7374 Intermediate Similarity NPD3926 Phase 2
0.7371 Intermediate Similarity NPD7435 Discontinued
0.7365 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD2533 Approved
0.7353 Intermediate Similarity NPD2534 Approved
0.7353 Intermediate Similarity NPD2532 Approved
0.7351 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7870 Phase 2
0.7333 Intermediate Similarity NPD7871 Phase 2
0.7333 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD7003 Approved
0.7321 Intermediate Similarity NPD4628 Phase 3
0.731 Intermediate Similarity NPD6273 Approved
0.7301 Intermediate Similarity NPD2979 Phase 3
0.7296 Intermediate Similarity NPD7999 Approved
0.7288 Intermediate Similarity NPD3749 Approved
0.7282 Intermediate Similarity NPD7696 Phase 3
0.7282 Intermediate Similarity NPD7698 Approved
0.7282 Intermediate Similarity NPD7697 Approved
0.7263 Intermediate Similarity NPD1247 Approved
0.7261 Intermediate Similarity NPD3705 Approved
0.7253 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7266 Discontinued
0.7236 Intermediate Similarity NPD7874 Approved
0.7236 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD3882 Suspended
0.7231 Intermediate Similarity NPD6823 Phase 2
0.7225 Intermediate Similarity NPD1653 Approved
0.7222 Intermediate Similarity NPD3787 Discontinued
0.7219 Intermediate Similarity NPD3750 Approved
0.7216 Intermediate Similarity NPD6777 Approved
0.7216 Intermediate Similarity NPD6780 Approved
0.7216 Intermediate Similarity NPD6776 Approved
0.7216 Intermediate Similarity NPD6779 Approved
0.7216 Intermediate Similarity NPD6781 Approved
0.7216 Intermediate Similarity NPD2801 Approved
0.7216 Intermediate Similarity NPD6778 Approved
0.7216 Intermediate Similarity NPD6782 Approved
0.7181 Intermediate Similarity NPD8150 Discontinued
0.7175 Intermediate Similarity NPD5402 Approved
0.7169 Intermediate Similarity NPD7097 Phase 1
0.7168 Intermediate Similarity NPD920 Approved
0.7165 Intermediate Similarity NPD8285 Discontinued
0.716 Intermediate Similarity NPD6832 Phase 2
0.7159 Intermediate Similarity NPD6801 Discontinued
0.7158 Intermediate Similarity NPD7177 Discontinued
0.7158 Intermediate Similarity NPD3751 Discontinued
0.7152 Intermediate Similarity NPD1281 Approved
0.7151 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4380 Phase 2
0.7143 Intermediate Similarity NPD6599 Discontinued
0.7143 Intermediate Similarity NPD7028 Phase 2
0.7143 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD7701 Phase 2
0.7134 Intermediate Similarity NPD8032 Phase 2
0.7102 Intermediate Similarity NPD6386 Approved
0.7102 Intermediate Similarity NPD6385 Approved
0.7094 Intermediate Similarity NPD7930 Approved
0.709 Intermediate Similarity NPD8434 Phase 2
0.7083 Intermediate Similarity NPD2796 Approved
0.7083 Intermediate Similarity NPD2935 Discontinued
0.7083 Intermediate Similarity NPD5406 Approved
0.7083 Intermediate Similarity NPD5405 Approved
0.7083 Intermediate Similarity NPD5404 Approved
0.7083 Intermediate Similarity NPD5408 Approved
0.7073 Intermediate Similarity NPD6798 Discontinued
0.7073 Intermediate Similarity NPD3764 Approved
0.7071 Intermediate Similarity NPD8320 Phase 1
0.7071 Intermediate Similarity NPD8319 Approved
0.707 Intermediate Similarity NPD5691 Approved
0.7052 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD447 Suspended
0.7048 Intermediate Similarity NPD6355 Discontinued
0.703 Intermediate Similarity NPD7801 Approved
0.7026 Intermediate Similarity NPD7699 Phase 2
0.7026 Intermediate Similarity NPD7700 Phase 2
0.7024 Intermediate Similarity NPD2799 Discontinued
0.7019 Intermediate Similarity NPD1283 Approved
0.7018 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD4110 Phase 3
0.7012 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD7039 Approved
0.7005 Intermediate Similarity NPD7038 Approved
0.6995 Remote Similarity NPD5242 Approved
0.6994 Remote Similarity NPD6799 Approved
0.6988 Remote Similarity NPD4307 Phase 2
0.6983 Remote Similarity NPD5353 Approved
0.6982 Remote Similarity NPD2531 Phase 2
0.6971 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6971 Remote Similarity NPD5403 Approved
0.697 Remote Similarity NPD1699 Clinical (unspecified phase)
0.697 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1651 Approved
0.6959 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6534 Approved
0.6959 Remote Similarity NPD1243 Approved
0.6959 Remote Similarity NPD6535 Approved
0.6954 Remote Similarity NPD5401 Approved
0.6954 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6954 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6946 Remote Similarity NPD1899 Clinical (unspecified phase)
0.694 Remote Similarity NPD5711 Approved
0.694 Remote Similarity NPD5710 Approved
0.6937 Remote Similarity NPD1611 Approved
0.6936 Remote Similarity NPD643 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6233 Phase 2
0.691 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6901 Remote Similarity NPD2897 Discontinued
0.6897 Remote Similarity NPD1511 Approved
0.6889 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6886 Remote Similarity NPD4060 Phase 1
0.6882 Remote Similarity NPD7799 Discontinued
0.6869 Remote Similarity NPD4107 Approved
0.6868 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6867 Remote Similarity NPD2313 Discontinued
0.6867 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6865 Remote Similarity NPD4481 Phase 3
0.6842 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6002 Phase 3
0.6842 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6005 Phase 3
0.6842 Remote Similarity NPD5763 Approved
0.6842 Remote Similarity NPD5762 Approved
0.6842 Remote Similarity NPD6004 Phase 3
0.6842 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6825 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4308 Phase 3
0.6821 Remote Similarity NPD8166 Discontinued
0.6821 Remote Similarity NPD6213 Phase 3

Structure

External Identifiers

PubChem CID   11285224
ChEMBL   CHEMBL444750
ZINC  

Physicochemical Properties

Molecular Weight:  652.18
ALogP:  -1.0557
MLogP:  3.55
XLogP:  2.974
# Rotatable Bonds:  17
Polar Surface Area:  160.58
# H-Bond Aceptor:  9
# H-Bond Donor:  0
# Rings:  6
# Heavy Atoms:  47

Download Data

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