Natural Product: NPC243680

Natural Product ID:  NPC243680
Common Name:   (3S,4Ar,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-10-[(2R,3R,4R,5S,6R)-3-Acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxyoxan-2-Yl]Oxymethyl]-4,5-Dihydroxyoxan-2-Yl]Oxy-3,5-Dihydroxy-2,2,6A,6B,9,9,12A-Heptamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-4A-Carboxylic Acid
IUPAC Name:   (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,5-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Synonyms:  
Molecular Formula:   C49H79NO18
Standard InCHIKey:  CZNVTQBHIFLJPM-FSNQEJLMSA-N
Standard InCHI:  InChI=1S/C49H79NO18/c1-21-33(55)37(59)39(68-41-38(60)34(56)25(52)19-63-41)42(65-21)64-20-26-35(57)36(58)32(50-22(2)51)40(66-26)67-31-13-14-46(7)27(45(31,5)6)12-15-47(8)28(46)11-10-23-24-16-44(3,4)29(53)18-49(24,43(61)62)30(54)17-48(23,47)9/h10,21,24-42,52-60H,11-20H2,1-9H3,(H,50,51)(H,61,62)/t21-,24+,25-,26-,27+,28-,29+,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,46+,47-,48-,49-/m1/s1
Canonical SMILES:  CC(=N[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)C[C@H]([C@@]1([C@H]2CC(C)(C)[C@H](C1)O)C(=O)O)O)C)C)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
NPO29529 Acacia victoriae Species Fabaceae Eukaryota PMID[12828461]
NPO7559 Albizia adianthifolia Species Fabaceae Eukaryota PMID[12662095]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT15 Cell Line Jurkat Homo sapiens IC50 > 100 ug/ml 20359898

  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 NPC243680 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 NPC200788
0.9844 High Similarity NPC172365
0.9844 High Similarity NPC210729
0.9844 High Similarity NPC82931
0.9841 High Similarity NPC145899
0.9762 High Similarity NPC280941
0.9762 High Similarity NPC75318
0.9762 High Similarity NPC235772
0.9683 High Similarity NPC76999
0.9618 High Similarity NPC475892
0.9603 High Similarity NPC73829
0.9603 High Similarity NPC119794
0.9542 High Similarity NPC475152
0.9542 High Similarity NPC475584
0.9542 High Similarity NPC475394
0.9524 High Similarity NPC475472
0.9065 High Similarity NPC265699
0.9 High Similarity NPC475599
0.9 High Similarity NPC100612
0.9 High Similarity NPC187497
0.9 High Similarity NPC174336
0.9 High Similarity NPC113620
0.8929 High Similarity NPC475527
0.8741 High Similarity NPC302276
0.8741 High Similarity NPC180770
0.8647 High Similarity NPC477072
0.8623 High Similarity NPC141669
0.8613 High Similarity NPC162910
0.8603 High Similarity NPC265908
0.8489 Intermediate Similarity NPC193579
0.8489 Intermediate Similarity NPC298469
0.8429 Intermediate Similarity NPC298067
0.8429 Intermediate Similarity NPC214821
0.8413 Intermediate Similarity NPC291903
0.8413 Intermediate Similarity NPC37134
0.8346 Intermediate Similarity NPC300419
0.8346 Intermediate Similarity NPC475119
0.8346 Intermediate Similarity NPC473824
0.8333 Intermediate Similarity NPC475486
0.8333 Intermediate Similarity NPC164389
0.8322 Intermediate Similarity NPC36463
0.8322 Intermediate Similarity NPC298005
0.831 Intermediate Similarity NPC244380
0.831 Intermediate Similarity NPC61717
0.8281 Intermediate Similarity NPC105800
0.8281 Intermediate Similarity NPC232237
0.8268 Intermediate Similarity NPC75287
0.8268 Intermediate Similarity NPC51465
0.8268 Intermediate Similarity NPC288205
0.8268 Intermediate Similarity NPC26626
0.8268 Intermediate Similarity NPC305267
0.8268 Intermediate Similarity NPC476992
0.8227 Intermediate Similarity NPC284625
0.8227 Intermediate Similarity NPC69176
0.8222 Intermediate Similarity NPC139585
0.8217 Intermediate Similarity NPC207738
0.8203 Intermediate Similarity NPC123522
0.8203 Intermediate Similarity NPC475514
0.8203 Intermediate Similarity NPC33012
0.8203 Intermediate Similarity NPC85154
0.8203 Intermediate Similarity NPC323359
0.8203 Intermediate Similarity NPC473452
0.8203 Intermediate Similarity NPC309223
0.8203 Intermediate Similarity NPC8524
0.8203 Intermediate Similarity NPC69811
0.8203 Intermediate Similarity NPC220160
0.8203 Intermediate Similarity NPC104137
0.8203 Intermediate Similarity NPC475209
0.8203 Intermediate Similarity NPC470876
0.8203 Intermediate Similarity NPC102505
0.8203 Intermediate Similarity NPC286457
0.8203 Intermediate Similarity NPC191827
0.8175 Intermediate Similarity NPC80843
0.8175 Intermediate Similarity NPC471383
0.8175 Intermediate Similarity NPC109079
0.8175 Intermediate Similarity NPC257468
0.8175 Intermediate Similarity NPC473373
0.8175 Intermediate Similarity NPC104400
0.8175 Intermediate Similarity NPC475504
0.8175 Intermediate Similarity NPC139044
0.8175 Intermediate Similarity NPC1046
0.8175 Intermediate Similarity NPC10320
0.8175 Intermediate Similarity NPC469946
0.8175 Intermediate Similarity NPC324875
0.8175 Intermediate Similarity NPC101744
0.8175 Intermediate Similarity NPC276093
0.8175 Intermediate Similarity NPC102439
0.8175 Intermediate Similarity NPC475516
0.8175 Intermediate Similarity NPC104071
0.8175 Intermediate Similarity NPC292677
0.8175 Intermediate Similarity NPC79718
0.8154 Intermediate Similarity NPC473645
0.814 Intermediate Similarity NPC473459
0.814 Intermediate Similarity NPC237191
0.8125 Intermediate Similarity NPC160415
0.8125 Intermediate Similarity NPC58448
0.8125 Intermediate Similarity NPC471384
0.8125 Intermediate Similarity NPC161674
0.811 Intermediate Similarity NPC295823
0.811 Intermediate Similarity NPC174720
0.811 Intermediate Similarity NPC114287
0.811 Intermediate Similarity NPC251263
0.811 Intermediate Similarity NPC475208
0.811 Intermediate Similarity NPC151543
0.811 Intermediate Similarity NPC166422
0.811 Intermediate Similarity NPC114304
0.811 Intermediate Similarity NPC219180
0.811 Intermediate Similarity NPC163183
0.811 Intermediate Similarity NPC473826
0.811 Intermediate Similarity NPC155410
0.811 Intermediate Similarity NPC46665
0.811 Intermediate Similarity NPC150400
0.811 Intermediate Similarity NPC192600
0.811 Intermediate Similarity NPC475287
0.811 Intermediate Similarity NPC309714
0.811 Intermediate Similarity NPC473343
0.811 Intermediate Similarity NPC124296
0.811 Intermediate Similarity NPC258885
0.811 Intermediate Similarity NPC241909
0.811 Intermediate Similarity NPC96641
0.811 Intermediate Similarity NPC323341
0.811 Intermediate Similarity NPC73318
0.811 Intermediate Similarity NPC134835
0.811 Intermediate Similarity NPC475467
0.811 Intermediate Similarity NPC133818
0.811 Intermediate Similarity NPC238935
0.8095 Intermediate Similarity NPC164419
0.8095 Intermediate Similarity NPC31839
0.8092 Intermediate Similarity NPC297263
0.8092 Intermediate Similarity NPC64715
0.8092 Intermediate Similarity NPC114484
0.8092 Intermediate Similarity NPC223301
0.8092 Intermediate Similarity NPC171544
0.8092 Intermediate Similarity NPC62725
0.8092 Intermediate Similarity NPC86222
0.8092 Intermediate Similarity NPC11242
0.8092 Intermediate Similarity NPC159309
0.8092 Intermediate Similarity NPC104372
0.8092 Intermediate Similarity NPC22956
0.8092 Intermediate Similarity NPC301449
0.8092 Intermediate Similarity NPC222580
0.8092 Intermediate Similarity NPC31838
0.8077 Intermediate Similarity NPC51564
0.8077 Intermediate Similarity NPC120667
0.8077 Intermediate Similarity NPC278272
0.8077 Intermediate Similarity NPC135849
0.8077 Intermediate Similarity NPC473386
0.8077 Intermediate Similarity NPC471577
0.8077 Intermediate Similarity NPC25663
0.8062 Intermediate Similarity NPC136768
0.8062 Intermediate Similarity NPC110633
0.8062 Intermediate Similarity NPC68175
0.8062 Intermediate Similarity NPC148417
0.8062 Intermediate Similarity NPC471580
0.8047 Intermediate Similarity NPC471385
0.8047 Intermediate Similarity NPC67857
0.8047 Intermediate Similarity NPC250247
0.8047 Intermediate Similarity NPC475160
0.8047 Intermediate Similarity NPC293330
0.8047 Intermediate Similarity NPC294453
0.8047 Intermediate Similarity NPC473714
0.8047 Intermediate Similarity NPC161717
0.8047 Intermediate Similarity NPC41061
0.8047 Intermediate Similarity NPC236638
0.8047 Intermediate Similarity NPC100639
0.8047 Intermediate Similarity NPC224381
0.8047 Intermediate Similarity NPC469782
0.8047 Intermediate Similarity NPC119592
0.8047 Intermediate Similarity NPC4328
0.8047 Intermediate Similarity NPC79643
0.8047 Intermediate Similarity NPC76972
0.8047 Intermediate Similarity NPC227551
0.8047 Intermediate Similarity NPC475140
0.8047 Intermediate Similarity NPC298034
0.8047 Intermediate Similarity NPC309907
0.8047 Intermediate Similarity NPC476068
0.8047 Intermediate Similarity NPC471550
0.8047 Intermediate Similarity NPC71065
0.8047 Intermediate Similarity NPC202828
0.8047 Intermediate Similarity NPC261506
0.8047 Intermediate Similarity NPC43550
0.8047 Intermediate Similarity NPC57484
0.8047 Intermediate Similarity NPC123199
0.8047 Intermediate Similarity NPC305981
0.8047 Intermediate Similarity NPC60557
0.8047 Intermediate Similarity NPC65105
0.8047 Intermediate Similarity NPC204414
0.8047 Intermediate Similarity NPC54636
0.8047 Intermediate Similarity NPC70809
0.8031 Intermediate Similarity NPC473383
0.8031 Intermediate Similarity NPC256798
0.8031 Intermediate Similarity NPC48249
0.8031 Intermediate Similarity NPC128925
0.8031 Intermediate Similarity NPC139894
0.803 Intermediate Similarity NPC4749
0.803 Intermediate Similarity NPC10607
0.803 Intermediate Similarity NPC475591
0.803 Intermediate Similarity NPC21691
0.803 Intermediate Similarity NPC80986
0.803 Intermediate Similarity NPC187290

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC243680 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
0.7836 Intermediate Similarity NPD8328 Phase 3
0.7652 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD8133 Approved
0.7014 Intermediate Similarity NPD8392 Approved
0.7014 Intermediate Similarity NPD8390 Approved
0.7014 Intermediate Similarity NPD8391 Approved
0.6923 Remote Similarity NPD8448 Approved
0.6901 Remote Similarity NPD8342 Approved
0.6901 Remote Similarity NPD8299 Approved
0.6901 Remote Similarity NPD8341 Approved
0.6901 Remote Similarity NPD8340 Approved
0.6875 Remote Similarity NPD8336 Approved
0.6875 Remote Similarity NPD8337 Approved
0.6871 Remote Similarity NPD8450 Suspended
0.6853 Remote Similarity NPD8451 Approved
0.6809 Remote Similarity NPD8516 Approved
0.6809 Remote Similarity NPD8513 Phase 3
0.6809 Remote Similarity NPD8515 Approved
0.6809 Remote Similarity NPD8517 Approved
0.6806 Remote Similarity NPD8074 Phase 3
0.6803 Remote Similarity NPD8449 Approved
0.68 Remote Similarity NPD6333 Approved
0.68 Remote Similarity NPD6334 Approved
0.6781 Remote Similarity NPD6914 Discontinued
0.6774 Remote Similarity NPD7625 Phase 1
0.6763 Remote Similarity NPD8137 Clinical (unspecified phase)
0.6738 Remote Similarity NPD8377 Approved
0.6738 Remote Similarity NPD8294 Approved
0.6716 Remote Similarity NPD6412 Phase 2
0.6712 Remote Similarity NPD7319 Approved
0.669 Remote Similarity NPD8378 Approved
0.669 Remote Similarity NPD8296 Approved
0.669 Remote Similarity NPD8379 Approved
0.669 Remote Similarity NPD8335 Approved
0.669 Remote Similarity NPD8380 Approved
0.6689 Remote Similarity NPD8338 Approved
0.6667 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD8174 Phase 2
0.6644 Remote Similarity NPD7736 Approved
0.6621 Remote Similarity NPD7507 Approved
0.6615 Remote Similarity NPD7902 Approved
0.66 Remote Similarity NPD8415 Approved
0.6593 Remote Similarity NPD8307 Discontinued
0.6573 Remote Similarity NPD8033 Approved
0.6573 Remote Similarity NPD6921 Approved
0.6573 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6569 Remote Similarity NPD6421 Discontinued
0.6541 Remote Similarity NPD7139 Approved
0.6541 Remote Similarity NPD7140 Approved
0.6541 Remote Similarity NPD7141 Clinical (unspecified phase)
0.6528 Remote Similarity NPD8080 Discontinued
0.6519 Remote Similarity NPD8393 Approved
0.6512 Remote Similarity NPD7748 Approved
0.6493 Remote Similarity NPD8275 Approved
0.6493 Remote Similarity NPD8276 Approved
0.6483 Remote Similarity NPD7829 Approved
0.6483 Remote Similarity NPD7830 Approved
0.6479 Remote Similarity NPD7641 Discontinued
0.6471 Remote Similarity NPD8140 Approved
0.6463 Remote Similarity NPD8293 Discontinued
0.6458 Remote Similarity NPD8444 Approved
0.6454 Remote Similarity NPD6940 Discontinued
0.6449 Remote Similarity NPD8087 Discontinued
0.6418 Remote Similarity NPD8086 Approved
0.6418 Remote Similarity NPD8082 Approved
0.6418 Remote Similarity NPD8138 Approved
0.6418 Remote Similarity NPD8083 Approved
0.6418 Remote Similarity NPD8085 Approved
0.6418 Remote Similarity NPD8139 Approved
0.6418 Remote Similarity NPD8084 Approved
0.6391 Remote Similarity NPD8418 Phase 2
0.6389 Remote Similarity NPD8346 Approved
0.6389 Remote Similarity NPD8345 Approved
0.6389 Remote Similarity NPD8347 Approved
0.6385 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6385 Remote Similarity NPD7900 Approved
0.6377 Remote Similarity NPD8305 Approved
0.6377 Remote Similarity NPD6941 Approved
0.6377 Remote Similarity NPD8306 Approved
0.6364 Remote Similarity NPD7328 Approved
0.6364 Remote Similarity NPD7327 Approved
0.6357 Remote Similarity NPD6430 Approved
0.6357 Remote Similarity NPD6429 Approved
0.6357 Remote Similarity NPD7515 Phase 2
0.6324 Remote Similarity NPD8081 Approved
0.6322 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6319 Remote Similarity NPD7516 Approved
0.6301 Remote Similarity NPD6370 Approved
0.6259 Remote Similarity NPD7642 Approved
0.6233 Remote Similarity NPD7503 Approved
0.6216 Remote Similarity NPD7492 Approved
0.6204 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6187 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6183 Remote Similarity NPD1447 Phase 3
0.6183 Remote Similarity NPD1446 Phase 3
0.6174 Remote Similarity NPD6616 Approved
0.617 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6164 Remote Similarity NPD6059 Approved
0.6164 Remote Similarity NPD6054 Approved
0.6164 Remote Similarity NPD6319 Approved
0.6139 Remote Similarity NPD8384 Approved
0.6133 Remote Similarity NPD7078 Approved
0.6124 Remote Similarity NPD8368 Discontinued
0.6122 Remote Similarity NPD8268 Approved
0.6122 Remote Similarity NPD6909 Approved
0.6122 Remote Similarity NPD8269 Approved
0.6122 Remote Similarity NPD8267 Approved
0.6122 Remote Similarity NPD8266 Approved
0.6122 Remote Similarity NPD6908 Approved
0.6117 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6111 Remote Similarity NPD8407 Phase 2
0.6107 Remote Similarity NPD8034 Phase 2
0.6107 Remote Similarity NPD8035 Phase 2
0.6074 Remote Similarity NPD2255 Approved
0.6069 Remote Similarity NPD7115 Discovery
0.6066 Remote Similarity NPD8435 Approved
0.6066 Remote Similarity NPD8361 Approved
0.6066 Remote Similarity NPD8360 Approved
0.6043 Remote Similarity NPD5357 Phase 1
0.6031 Remote Similarity NPD8522 Clinical (unspecified phase)
0.6014 Remote Similarity NPD6016 Approved
0.6014 Remote Similarity NPD8297 Approved
0.6014 Remote Similarity NPD6015 Approved
0.6014 Remote Similarity NPD6882 Approved
0.6 Remote Similarity NPD8389 Clinical (unspecified phase)
0.5973 Remote Similarity NPD5988 Approved
0.5959 Remote Similarity NPD6009 Approved
0.5957 Remote Similarity NPD8485 Approved
0.5956 Remote Similarity NPD7638 Approved
0.5956 Remote Similarity NPD8424 Clinical (unspecified phase)
0.594 Remote Similarity NPD6399 Phase 3
0.594 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5933 Remote Similarity NPD7604 Phase 2
0.5933 Remote Similarity NPD7122 Discontinued
0.5933 Remote Similarity NPD6067 Discontinued
0.5926 Remote Similarity NPD5349 Clinical (unspecified phase)
0.5917 Remote Similarity NPD8417 Discontinued
0.5915 Remote Similarity NPD6373 Approved
0.5915 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5915 Remote Similarity NPD6372 Approved
0.5912 Remote Similarity NPD7639 Approved
0.5912 Remote Similarity NPD7640 Approved
0.5907 Remote Similarity NPD8319 Approved
0.5907 Remote Similarity NPD8320 Phase 1
0.5899 Remote Similarity NPD1407 Approved
0.5895 Remote Similarity NPD7237 Clinical (unspecified phase)
0.5878 Remote Similarity NPD618 Clinical (unspecified phase)
0.5874 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5865 Remote Similarity NPD6411 Approved
0.5862 Remote Similarity NPD4632 Approved
0.5862 Remote Similarity NPD8298 Phase 2
0.5855 Remote Similarity NPD8273 Phase 1
0.5839 Remote Similarity NPD4225 Approved
0.5833 Remote Similarity NPD6650 Approved
0.5833 Remote Similarity NPD6649 Approved
0.5827 Remote Similarity NPD8301 Approved
0.5827 Remote Similarity NPD8300 Approved
0.5821 Remote Similarity NPD8171 Discontinued
0.5818 Remote Similarity NPD7274 Clinical (unspecified phase)
0.5816 Remote Similarity NPD6675 Approved
0.5816 Remote Similarity NPD7128 Approved
0.5816 Remote Similarity NPD5739 Approved
0.5816 Remote Similarity NPD6402 Approved
0.5809 Remote Similarity NPD6428 Approved
0.5794 Remote Similarity NPD7645 Phase 2
0.5779 Remote Similarity NPD6033 Approved
0.5769 Remote Similarity NPD7260 Phase 2
0.5769 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5765 Remote Similarity NPD8414 Discontinued
0.5764 Remote Similarity NPD6420 Discontinued
0.5762 Remote Similarity NPD6436 Phase 3
0.5734 Remote Similarity NPD6899 Approved
0.5734 Remote Similarity NPD6881 Approved
0.5734 Remote Similarity NPD7320 Approved
0.5724 Remote Similarity NPD1719 Phase 1
0.5724 Remote Similarity NPD8130 Phase 1
0.5714 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6101 Approved
0.5707 Remote Similarity NPD8151 Discontinued
0.5693 Remote Similarity NPD7839 Suspended
0.5678 Remote Similarity NPD7875 Clinical (unspecified phase)
0.5678 Remote Similarity NPD7874 Approved
0.5664 Remote Similarity NPD5697 Approved
0.5664 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5664 Remote Similarity NPD5701 Approved
0.5655 Remote Similarity NPD6883 Approved
0.5655 Remote Similarity NPD7290 Approved
0.5655 Remote Similarity NPD7102 Approved
0.5655 Remote Similarity NPD4634 Approved
0.565 Remote Similarity NPD7801 Approved
0.565 Remote Similarity NPD7783 Phase 2
0.565 Remote Similarity NPD7782 Clinical (unspecified phase)
0.5639 Remote Similarity NPD4264 Clinical (unspecified phase)
0.5638 Remote Similarity NPD7500 Approved
0.5633 Remote Similarity NPD6845 Suspended
0.563 Remote Similarity NPD7983 Approved
0.5616 Remote Similarity NPD6869 Approved
0.5616 Remote Similarity NPD6847 Approved

Structure

External Identifiers

PubChem CID   11051331
ChEMBL   CHEMBL453973
ZINC  

Physicochemical Properties

Molecular Weight:  969.53
ALogP:  -2.9699
MLogP:  4.76
XLogP:  2.972
# Rotatable Bonds:  29
Polar Surface Area:  307.34
# H-Bond Aceptor:  19
# H-Bond Donor:  11
# Rings:  8
# Heavy Atoms:  68

Download Data

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Biological Activities  
Similar NPs/Drugs