Natural Product: NPC470601

Natural Product ID:  NPC470601
Common Name:   Manadosterol A
IUPAC Name:   pentasodium;[(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R)-4-[(1S,5R)-5-[(3R)-3-[(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-2,3,6-trisulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-2,2,4-trimethylcyclopent-3-en-1-yl]but-3-en-2-yl]-3-hydroxy-10,13-dimethyl-2-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] sulfate
Synonyms:   Manadosterol A
Molecular Formula:   C54H88O21S5.5Na
Standard InCHIKey:  XDFYDGOBWUFTDP-MMCNXTPJSA-I
Standard InCHI:  InChI=1S/C54H88O21S5.5Na/c1-29(35-14-16-39-34-23-46(72-77(59,60)61)43-25-47(73-78(62,63)64)49(75-80(68,69)70)28-54(43,9)41(34)19-21-51(35,39)6)10-12-32-31(3)26-50(4,5)37(32)13-11-30(2)36-15-17-38-33-22-45(71-76(56,57)58)42-24-44(55)48(74-79(65,66)67)27-53(42,8)40(33)18-20-52(36,38)7;;;;;/h11,13,26,29-30,32-49,55H,10,12,14-25,27-28H2,1-9H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;;/q;5*+1/p-5/b13-11-;;;;;/t29-,30-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41+,42-,43-,44+,45+,46+,47+,48+,49+,51-,52-,53-,54-;;;;;/m1...../s1
Canonical SMILES:  O[C@H]1C[C@@H]2[C@H](C[C@@H]3[C@@H]([C@]2(C[C@@H]1OS(=O)(=O)[O-])C)CC[C@]1([C@H]3CC[C@@H]1[C@@H](/C=C[C@H]1[C@@H](CC[C@H]([C@H]2CC[C@@H]3[C@]2(C)CC[C@H]2[C@H]3C[C@@H]([C@@H]3[C@]2(C)C[C@H](OS(=O)(=O)[O-])[C@H](C3)OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)C(=CC1(C)C)C)C)C)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
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
NPO33465 lissodendryx fibrosa Species NA NA PMID[22873794]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio IC50 = 1000 PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 90 nM 16643051

  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 NPC470601 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
0.9688 High Similarity NPC470602
0.8211 Intermediate Similarity NPC469878
0.8041 Intermediate Similarity NPC477604
0.8021 Intermediate Similarity NPC478102
0.8 Intermediate Similarity NPC477599
0.798 Intermediate Similarity NPC105495
0.7961 Intermediate Similarity NPC477226
0.7961 Intermediate Similarity NPC316604
0.7959 Intermediate Similarity NPC186145
0.7959 Intermediate Similarity NPC477600
0.7959 Intermediate Similarity NPC474657
0.7917 Intermediate Similarity NPC207013
0.7879 Intermediate Similarity NPC475664
0.7857 Intermediate Similarity NPC478094
0.7857 Intermediate Similarity NPC237344
0.7843 Intermediate Similarity NPC477605
0.78 Intermediate Similarity NPC477606
0.78 Intermediate Similarity NPC109744
0.7778 Intermediate Similarity NPC475313
0.7732 Intermediate Similarity NPC253402
0.7732 Intermediate Similarity NPC159168
0.7732 Intermediate Similarity NPC141941
0.7732 Intermediate Similarity NPC477818
0.7732 Intermediate Similarity NPC110778
0.7732 Intermediate Similarity NPC193870
0.7723 Intermediate Similarity NPC473956
0.7723 Intermediate Similarity NPC475751
0.77 Intermediate Similarity NPC133588
0.7679 Intermediate Similarity NPC475312
0.7677 Intermediate Similarity NPC71520
0.7677 Intermediate Similarity NPC269058
0.7677 Intermediate Similarity NPC24277
0.7653 Intermediate Similarity NPC238992
0.7653 Intermediate Similarity NPC475798
0.7653 Intermediate Similarity NPC127606
0.7629 Intermediate Similarity NPC47763
0.7629 Intermediate Similarity NPC248886
0.7624 Intermediate Similarity NPC187785
0.7624 Intermediate Similarity NPC259875
0.7604 Intermediate Similarity NPC13554
0.7604 Intermediate Similarity NPC236237
0.7604 Intermediate Similarity NPC322313
0.7604 Intermediate Similarity NPC102253
0.7604 Intermediate Similarity NPC236112
0.76 Intermediate Similarity NPC470620
0.7593 Intermediate Similarity NPC16573
0.7579 Intermediate Similarity NPC244385
0.7579 Intermediate Similarity NPC102708
0.7579 Intermediate Similarity NPC6978
0.7579 Intermediate Similarity NPC138621
0.7579 Intermediate Similarity NPC167037
0.7551 Intermediate Similarity NPC211135
0.7551 Intermediate Similarity NPC85095
0.7551 Intermediate Similarity NPC216420
0.7545 Intermediate Similarity NPC181467
0.7526 Intermediate Similarity NPC474531
0.7526 Intermediate Similarity NPC473534
0.7525 Intermediate Similarity NPC474668
0.7523 Intermediate Similarity NPC165033
0.7523 Intermediate Similarity NPC273879
0.75 Intermediate Similarity NPC476691
0.75 Intermediate Similarity NPC159036
0.75 Intermediate Similarity NPC273410
0.75 Intermediate Similarity NPC476692
0.75 Intermediate Similarity NPC312553
0.75 Intermediate Similarity NPC288694
0.75 Intermediate Similarity NPC80530
0.75 Intermediate Similarity NPC139724
0.75 Intermediate Similarity NPC201273
0.75 Intermediate Similarity NPC6605
0.75 Intermediate Similarity NPC474132
0.75 Intermediate Similarity NPC94462
0.75 Intermediate Similarity NPC472463
0.7477 Intermediate Similarity NPC246124
0.7477 Intermediate Similarity NPC180183
0.7477 Intermediate Similarity NPC7341
0.7477 Intermediate Similarity NPC208358
0.7477 Intermediate Similarity NPC473200
0.7477 Intermediate Similarity NPC220427
0.7476 Intermediate Similarity NPC97404
0.7476 Intermediate Similarity NPC41554
0.7476 Intermediate Similarity NPC275671
0.7475 Intermediate Similarity NPC209802
0.7475 Intermediate Similarity NPC124172
0.7475 Intermediate Similarity NPC255882
0.7475 Intermediate Similarity NPC474493
0.7474 Intermediate Similarity NPC202540
0.7456 Intermediate Similarity NPC476671
0.7455 Intermediate Similarity NPC208594
0.7455 Intermediate Similarity NPC208477
0.7455 Intermediate Similarity NPC127801
0.7455 Intermediate Similarity NPC69737
0.7455 Intermediate Similarity NPC194842
0.7455 Intermediate Similarity NPC160816
0.7455 Intermediate Similarity NPC152584
0.7455 Intermediate Similarity NPC269627
0.7449 Intermediate Similarity NPC30166
0.7431 Intermediate Similarity NPC155010
0.7431 Intermediate Similarity NPC16520
0.7431 Intermediate Similarity NPC114874
0.7431 Intermediate Similarity NPC473020
0.7431 Intermediate Similarity NPC213190
0.7431 Intermediate Similarity NPC286969
0.7431 Intermediate Similarity NPC8039
0.7431 Intermediate Similarity NPC131479
0.7431 Intermediate Similarity NPC211879
0.7431 Intermediate Similarity NPC120123
0.7431 Intermediate Similarity NPC189852
0.7431 Intermediate Similarity NPC31907
0.7431 Intermediate Similarity NPC245280
0.7431 Intermediate Similarity NPC157659
0.7431 Intermediate Similarity NPC472252
0.7423 Intermediate Similarity NPC287749
0.7423 Intermediate Similarity NPC475679
0.7407 Intermediate Similarity NPC472023
0.7407 Intermediate Similarity NPC47566
0.7407 Intermediate Similarity NPC4831
0.7407 Intermediate Similarity NPC88000
0.7407 Intermediate Similarity NPC309425
0.7407 Intermediate Similarity NPC155974
0.7407 Intermediate Similarity NPC160734
0.7407 Intermediate Similarity NPC129372
0.7396 Intermediate Similarity NPC285761
0.7396 Intermediate Similarity NPC300499
0.7387 Intermediate Similarity NPC63368
0.7387 Intermediate Similarity NPC14946
0.7387 Intermediate Similarity NPC208650
0.7383 Intermediate Similarity NPC280825
0.7383 Intermediate Similarity NPC234287
0.7379 Intermediate Similarity NPC80561
0.7379 Intermediate Similarity NPC204188
0.7379 Intermediate Similarity NPC11216
0.7379 Intermediate Similarity NPC3345
0.7379 Intermediate Similarity NPC329596
0.7379 Intermediate Similarity NPC291484
0.7374 Intermediate Similarity NPC113978
0.7368 Intermediate Similarity NPC237460
0.7368 Intermediate Similarity NPC477602
0.7368 Intermediate Similarity NPC14112
0.7368 Intermediate Similarity NPC86305
0.7368 Intermediate Similarity NPC473916
0.7368 Intermediate Similarity NPC477601
0.7364 Intermediate Similarity NPC475365
0.7364 Intermediate Similarity NPC312774
0.7358 Intermediate Similarity NPC471903
0.7353 Intermediate Similarity NPC470542
0.7353 Intermediate Similarity NPC67872
0.7347 Intermediate Similarity NPC242350
0.7345 Intermediate Similarity NPC472717
0.7339 Intermediate Similarity NPC136816
0.7327 Intermediate Similarity NPC261266
0.7327 Intermediate Similarity NPC121981
0.7321 Intermediate Similarity NPC159005
0.7321 Intermediate Similarity NPC6931
0.732 Intermediate Similarity NPC116119
0.732 Intermediate Similarity NPC80297
0.732 Intermediate Similarity NPC472742
0.732 Intermediate Similarity NPC475727
0.7315 Intermediate Similarity NPC473790
0.7315 Intermediate Similarity NPC476195
0.7308 Intermediate Similarity NPC210268
0.7304 Intermediate Similarity NPC476693
0.7292 Intermediate Similarity NPC157996
0.7292 Intermediate Similarity NPC34177
0.7292 Intermediate Similarity NPC40394
0.7292 Intermediate Similarity NPC130136
0.7292 Intermediate Similarity NPC101475
0.729 Intermediate Similarity NPC474994
0.729 Intermediate Similarity NPC476021
0.729 Intermediate Similarity NPC476893
0.729 Intermediate Similarity NPC476040
0.7282 Intermediate Similarity NPC101886
0.7282 Intermediate Similarity NPC470361
0.7281 Intermediate Similarity NPC65167
0.7281 Intermediate Similarity NPC472715
0.7273 Intermediate Similarity NPC1272
0.7273 Intermediate Similarity NPC296701
0.7273 Intermediate Similarity NPC470614
0.7273 Intermediate Similarity NPC473198
0.7273 Intermediate Similarity NPC218616
0.7273 Intermediate Similarity NPC7988
0.7264 Intermediate Similarity NPC476894
0.7263 Intermediate Similarity NPC178383
0.7263 Intermediate Similarity NPC103822
0.7263 Intermediate Similarity NPC231256
0.7263 Intermediate Similarity NPC104387
0.7263 Intermediate Similarity NPC240235
0.7263 Intermediate Similarity NPC212879
0.7257 Intermediate Similarity NPC474573
0.7257 Intermediate Similarity NPC51925
0.7257 Intermediate Similarity NPC154085
0.7257 Intermediate Similarity NPC43976
0.7257 Intermediate Similarity NPC296761
0.7257 Intermediate Similarity NPC125361
0.7248 Intermediate Similarity NPC476132
0.7245 Intermediate Similarity NPC71535
0.7245 Intermediate Similarity NPC78545
0.7238 Intermediate Similarity NPC291373
0.7238 Intermediate Similarity NPC98193
0.7232 Intermediate Similarity NPC190395

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470601 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
0.7604 Intermediate Similarity NPD7525 Registered
0.7143 Intermediate Similarity NPD7645 Phase 2
0.6907 Remote Similarity NPD7339 Approved
0.6907 Remote Similarity NPD6942 Approved
0.6667 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6933 Approved
0.6667 Remote Similarity NPD8377 Approved
0.6667 Remote Similarity NPD8294 Approved
0.6613 Remote Similarity NPD8033 Approved
0.6613 Remote Similarity NPD8378 Approved
0.6613 Remote Similarity NPD8380 Approved
0.6613 Remote Similarity NPD8296 Approved
0.6613 Remote Similarity NPD8335 Approved
0.6613 Remote Similarity NPD8379 Approved
0.6604 Remote Similarity NPD7524 Approved
0.6585 Remote Similarity NPD7516 Approved
0.6571 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6514 Remote Similarity NPD8035 Phase 2
0.6514 Remote Similarity NPD6079 Approved
0.6514 Remote Similarity NPD8034 Phase 2
0.6514 Remote Similarity NPD7515 Phase 2
0.6504 Remote Similarity NPD7327 Approved
0.6504 Remote Similarity NPD7328 Approved
0.6481 Remote Similarity NPD5328 Approved
0.6476 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6476 Remote Similarity NPD4786 Approved
0.6471 Remote Similarity NPD6929 Approved
0.6465 Remote Similarity NPD6924 Approved
0.6465 Remote Similarity NPD6926 Approved
0.646 Remote Similarity NPD7638 Approved
0.6449 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6436 Remote Similarity NPD6932 Approved
0.6429 Remote Similarity NPD7152 Approved
0.6429 Remote Similarity NPD7151 Approved
0.6429 Remote Similarity NPD7150 Approved
0.6408 Remote Similarity NPD7509 Discontinued
0.6408 Remote Similarity NPD6931 Approved
0.6408 Remote Similarity NPD6930 Phase 2
0.6404 Remote Similarity NPD7640 Approved
0.6404 Remote Similarity NPD7639 Approved
0.6396 Remote Similarity NPD7748 Approved
0.6392 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6695 Phase 3
0.6373 Remote Similarity NPD7145 Approved
0.6372 Remote Similarity NPD7902 Approved
0.6355 Remote Similarity NPD3618 Phase 1
0.6333 Remote Similarity NPD4634 Approved
0.6327 Remote Similarity NPD7144 Approved
0.6327 Remote Similarity NPD7143 Approved
0.6321 Remote Similarity NPD3668 Phase 3
0.6306 Remote Similarity NPD4202 Approved
0.63 Remote Similarity NPD4784 Approved
0.63 Remote Similarity NPD4785 Approved
0.6296 Remote Similarity NPD7750 Discontinued
0.6286 Remote Similarity NPD3667 Approved
0.6283 Remote Similarity NPD5221 Approved
0.6283 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6283 Remote Similarity NPD5222 Approved
0.6275 Remote Similarity NPD5776 Phase 2
0.6275 Remote Similarity NPD6925 Approved
0.6263 Remote Similarity NPD4243 Approved
0.6261 Remote Similarity NPD5286 Approved
0.6261 Remote Similarity NPD5285 Approved
0.6261 Remote Similarity NPD4696 Approved
0.625 Remote Similarity NPD7514 Phase 3
0.625 Remote Similarity NPD7332 Phase 2
0.623 Remote Similarity NPD8297 Approved
0.6228 Remote Similarity NPD5173 Approved
0.6228 Remote Similarity NPD4755 Approved
0.6224 Remote Similarity NPD6922 Approved
0.6224 Remote Similarity NPD6923 Approved
0.622 Remote Similarity NPD7503 Approved
0.6207 Remote Similarity NPD5223 Approved
0.619 Remote Similarity NPD6902 Approved
0.6179 Remote Similarity NPD8133 Approved
0.6179 Remote Similarity NPD4632 Approved
0.6174 Remote Similarity NPD5290 Discontinued
0.6167 Remote Similarity NPD7320 Approved
0.6161 Remote Similarity NPD8171 Discontinued
0.6161 Remote Similarity NPD6399 Phase 3
0.6154 Remote Similarity NPD7507 Approved
0.6154 Remote Similarity NPD5225 Approved
0.6154 Remote Similarity NPD5226 Approved
0.6154 Remote Similarity NPD6683 Phase 2
0.6154 Remote Similarity NPD4633 Approved
0.6154 Remote Similarity NPD5224 Approved
0.6154 Remote Similarity NPD5211 Phase 2
0.614 Remote Similarity NPD4697 Phase 3
0.6126 Remote Similarity NPD7136 Phase 2
0.6124 Remote Similarity NPD8328 Phase 3
0.6121 Remote Similarity NPD4700 Approved
0.6116 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6893 Approved
0.6106 Remote Similarity NPD7900 Approved
0.6106 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6102 Remote Similarity NPD4754 Approved
0.6102 Remote Similarity NPD5175 Approved
0.6102 Remote Similarity NPD5174 Approved
0.6095 Remote Similarity NPD4748 Discontinued
0.6083 Remote Similarity NPD6412 Phase 2
0.6061 Remote Similarity NPD7736 Approved
0.6058 Remote Similarity NPD7322 Clinical (unspecified phase)
0.605 Remote Similarity NPD5141 Approved
0.6038 Remote Similarity NPD6898 Phase 1
0.6033 Remote Similarity NPD4729 Approved
0.6033 Remote Similarity NPD6881 Approved
0.6033 Remote Similarity NPD4730 Approved
0.6033 Remote Similarity NPD6899 Approved
0.6019 Remote Similarity NPD3666 Approved
0.6019 Remote Similarity NPD3665 Phase 1
0.6019 Remote Similarity NPD3133 Approved
0.6016 Remote Similarity NPD6650 Approved
0.6016 Remote Similarity NPD8130 Phase 1
0.6016 Remote Similarity NPD6319 Approved
0.6016 Remote Similarity NPD6649 Approved
0.6016 Remote Similarity NPD6054 Approved
0.6015 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD4195 Approved
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD6675 Approved
0.6 Remote Similarity NPD5739 Approved
0.6 Remote Similarity NPD7128 Approved
0.6 Remote Similarity NPD6402 Approved
0.6 Remote Similarity NPD4767 Approved
0.5985 Remote Similarity NPD7078 Approved
0.5984 Remote Similarity NPD6372 Approved
0.5984 Remote Similarity NPD6373 Approved
0.5968 Remote Similarity NPD6882 Approved
0.595 Remote Similarity NPD5697 Approved
0.5943 Remote Similarity NPD6928 Phase 2
0.5935 Remote Similarity NPD5249 Phase 3
0.5935 Remote Similarity NPD5247 Approved
0.5935 Remote Similarity NPD7290 Approved
0.5935 Remote Similarity NPD5251 Approved
0.5935 Remote Similarity NPD5248 Approved
0.5935 Remote Similarity NPD7102 Approved
0.5935 Remote Similarity NPD5250 Approved
0.5935 Remote Similarity NPD6883 Approved
0.5935 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5935 Remote Similarity NPD5135 Approved
0.5929 Remote Similarity NPD7087 Discontinued
0.5923 Remote Similarity NPD6370 Approved
0.5922 Remote Similarity NPD4190 Phase 3
0.5922 Remote Similarity NPD8264 Approved
0.5922 Remote Similarity NPD5275 Approved
0.5906 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5906 Remote Similarity NPD6009 Approved
0.5906 Remote Similarity NPD7115 Discovery
0.5905 Remote Similarity NPD6697 Approved
0.5905 Remote Similarity NPD6118 Approved
0.5905 Remote Similarity NPD6115 Approved
0.5905 Remote Similarity NPD6114 Approved
0.5902 Remote Similarity NPD6011 Approved
0.5893 Remote Similarity NPD4753 Phase 2
0.5891 Remote Similarity NPD6059 Approved
0.5887 Remote Similarity NPD6847 Approved
0.5887 Remote Similarity NPD6617 Approved
0.5887 Remote Similarity NPD6869 Approved
0.5887 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7632 Discontinued
0.5854 Remote Similarity NPD6014 Approved
0.5854 Remote Similarity NPD6013 Approved
0.5854 Remote Similarity NPD6012 Approved
0.5846 Remote Similarity NPD6015 Approved
0.5846 Remote Similarity NPD6016 Approved
0.5839 Remote Similarity NPD8450 Suspended
0.5833 Remote Similarity NPD7492 Approved
0.582 Remote Similarity NPD5701 Approved
0.581 Remote Similarity NPD6116 Phase 1
0.5806 Remote Similarity NPD5169 Approved
0.5802 Remote Similarity NPD5988 Approved
0.5793 Remote Similarity NPD7625 Phase 1
0.5789 Remote Similarity NPD6616 Approved
0.5789 Remote Similarity NPD7637 Suspended
0.578 Remote Similarity NPD4788 Approved
0.5776 Remote Similarity NPD5210 Approved
0.5776 Remote Similarity NPD4629 Approved
0.5772 Remote Similarity NPD5168 Approved
0.5772 Remote Similarity NPD5128 Approved
0.5766 Remote Similarity NPD8449 Approved
0.5766 Remote Similarity NPD5279 Phase 3
0.576 Remote Similarity NPD5217 Approved
0.576 Remote Similarity NPD5216 Approved
0.576 Remote Similarity NPD5215 Approved
0.576 Remote Similarity NPD5127 Approved
0.5758 Remote Similarity NPD7604 Phase 2
0.5758 Remote Similarity NPD6067 Discontinued
0.5746 Remote Similarity NPD8293 Discontinued
0.5738 Remote Similarity NPD6008 Approved
0.5725 Remote Similarity NPD5983 Phase 2
0.5714 Remote Similarity NPD6117 Approved
0.5702 Remote Similarity NPD6700 Approved
0.5702 Remote Similarity NPD6701 Clinical (unspecified phase)
0.5688 Remote Similarity NPD4223 Phase 3
0.5688 Remote Similarity NPD4221 Approved
0.5686 Remote Similarity NPD4787 Phase 1
0.5678 Remote Similarity NPD6084 Phase 2
0.5678 Remote Similarity NPD6083 Phase 2
0.5676 Remote Similarity NPD5329 Approved
0.5672 Remote Similarity NPD6336 Discontinued

Structure

External Identifiers

PubChem CID   66554195
ChEMBL   CHEMBL2087612
ZINC  

Physicochemical Properties

Molecular Weight:  1227.40
ALogP:  -1.324
MLogP:  4.54
XLogP:  9.249
# Rotatable Bonds:  32
Polar Surface Area:  394.28
# H-Bond Aceptor:  21
# H-Bond Donor:  1
# Rings:  9
# Heavy Atoms:  80

Download Data

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