Natural Product: NPC69291

Natural Product ID:  NPC69291
Common Name:   (3Ar,3Bs,5As,6R,8As,8Bs,10R,10As)-10-Hydroxy-6-[(1S)-1-[(2R)-5-(Hydroxymethyl)-4-Methyl-6-Oxo-2,3-Dihydropyran-2-Yl]Ethyl]-3A,5A-Dimethyl-3-Oxo-3B,4,5,6,7,8,8A,8B,9,10-Decahydroindeno[6,7-E]Indene-10A-Carbaldehyde
IUPAC Name:   (3aR,3bS,5aS,6R,8aS,8bS,10R,10aS)-10-hydroxy-6-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3a,5a-dimethyl-3-oxo-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[6,7-e]indene-10a-carbaldehyde
Synonyms:  
Molecular Formula:   C28H38O6
Standard InCHIKey:  NRUAJFGNWWQRRL-GOXWLBPLSA-N
Standard InCHI:  InChI=1S/C28H38O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h8,10,14,16-17,19-22,24,29,32H,5-7,9,11-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1
Canonical SMILES:  OCC1=C(C)C[C@@H](OC1=O)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]([C@]2([C@]1(C)C(=O)C=C2)C=O)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
NPO20281 Withania aristata Species Solanaceae Eukaryota PMID[22705001]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 8326318
NPT165 Cell Line HeLa Homo sapiens IC50 > 40000 nM 17650015
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 10762048
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 40000 nM 10762048
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 40000 nM 17315957
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 19132934

  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 NPC69291 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
0.9074 High Similarity NPC285956
0.8991 High Similarity NPC122056
0.8981 High Similarity NPC474315
0.8919 High Similarity NPC243065
0.8909 High Similarity NPC147912
0.8909 High Similarity NPC67259
0.8889 High Similarity NPC470496
0.8879 High Similarity NPC220155
0.8785 High Similarity NPC91034
0.875 High Similarity NPC20302
0.875 High Similarity NPC470493
0.875 High Similarity NPC286528
0.875 High Similarity NPC140055
0.875 High Similarity NPC183580
0.875 High Similarity NPC312824
0.875 High Similarity NPC167606
0.8673 High Similarity NPC709
0.8673 High Similarity NPC50774
0.8596 High Similarity NPC264954
0.8584 High Similarity NPC470492
0.8522 High Similarity NPC474370
0.8519 High Similarity NPC266570
0.8505 High Similarity NPC112009
0.8505 High Similarity NPC476237
0.8505 High Similarity NPC176883
0.8496 Intermediate Similarity NPC64318
0.8448 Intermediate Similarity NPC67569
0.8426 Intermediate Similarity NPC189616
0.8411 Intermediate Similarity NPC32577
0.8411 Intermediate Similarity NPC114540
0.8411 Intermediate Similarity NPC155332
0.8396 Intermediate Similarity NPC35751
0.8396 Intermediate Similarity NPC201406
0.8396 Intermediate Similarity NPC474012
0.8396 Intermediate Similarity NPC476299
0.839 Intermediate Similarity NPC3381
0.839 Intermediate Similarity NPC8369
0.8381 Intermediate Similarity NPC2049
0.8381 Intermediate Similarity NPC253826
0.8378 Intermediate Similarity NPC29133
0.8376 Intermediate Similarity NPC88326
0.8376 Intermediate Similarity NPC153700
0.8376 Intermediate Similarity NPC470265
0.8376 Intermediate Similarity NPC23786
0.8348 Intermediate Similarity NPC186525
0.8333 Intermediate Similarity NPC473283
0.8333 Intermediate Similarity NPC475526
0.8333 Intermediate Similarity NPC72151
0.8333 Intermediate Similarity NPC329345
0.8333 Intermediate Similarity NPC180204
0.8318 Intermediate Similarity NPC282524
0.8318 Intermediate Similarity NPC115899
0.8305 Intermediate Similarity NPC469789
0.8304 Intermediate Similarity NPC470961
0.8302 Intermediate Similarity NPC108368
0.8302 Intermediate Similarity NPC57079
0.8302 Intermediate Similarity NPC316598
0.8302 Intermediate Similarity NPC98868
0.8288 Intermediate Similarity NPC475065
0.8286 Intermediate Similarity NPC242848
0.8276 Intermediate Similarity NPC473274
0.8276 Intermediate Similarity NPC473270
0.8273 Intermediate Similarity NPC473284
0.8273 Intermediate Similarity NPC329048
0.8273 Intermediate Similarity NPC330011
0.8261 Intermediate Similarity NPC476965
0.8261 Intermediate Similarity NPC470959
0.8257 Intermediate Similarity NPC472868
0.8257 Intermediate Similarity NPC294259
0.8246 Intermediate Similarity NPC284915
0.8241 Intermediate Similarity NPC136289
0.8241 Intermediate Similarity NPC320447
0.8235 Intermediate Similarity NPC470494
0.8235 Intermediate Similarity NPC8374
0.823 Intermediate Similarity NPC191620
0.823 Intermediate Similarity NPC476163
0.8224 Intermediate Similarity NPC470906
0.8224 Intermediate Similarity NPC266955
0.8224 Intermediate Similarity NPC476303
0.8214 Intermediate Similarity NPC179642
0.8208 Intermediate Similarity NPC126815
0.8205 Intermediate Similarity NPC476962
0.8198 Intermediate Similarity NPC475418
0.8198 Intermediate Similarity NPC89171
0.8198 Intermediate Similarity NPC476802
0.8198 Intermediate Similarity NPC318363
0.8198 Intermediate Similarity NPC473482
0.8182 Intermediate Similarity NPC189863
0.8174 Intermediate Similarity NPC72772
0.8174 Intermediate Similarity NPC270929
0.8174 Intermediate Similarity NPC469794
0.8167 Intermediate Similarity NPC293112
0.8165 Intermediate Similarity NPC475050
0.8165 Intermediate Similarity NPC120321
0.8165 Intermediate Similarity NPC297617
0.8158 Intermediate Similarity NPC25909
0.8155 Intermediate Similarity NPC161638
0.8151 Intermediate Similarity NPC11895
0.8148 Intermediate Similarity NPC310981
0.8148 Intermediate Similarity NPC303559
0.8148 Intermediate Similarity NPC224720
0.8148 Intermediate Similarity NPC476240
0.8148 Intermediate Similarity NPC476223
0.8148 Intermediate Similarity NPC473514
0.8148 Intermediate Similarity NPC81530
0.8136 Intermediate Similarity NPC470878
0.8136 Intermediate Similarity NPC473256
0.8131 Intermediate Similarity NPC478056
0.8131 Intermediate Similarity NPC252295
0.8125 Intermediate Similarity NPC475941
0.8125 Intermediate Similarity NPC474901
0.812 Intermediate Similarity NPC476960
0.812 Intermediate Similarity NPC230513
0.8115 Intermediate Similarity NPC473593
0.8113 Intermediate Similarity NPC301534
0.8113 Intermediate Similarity NPC250757
0.8113 Intermediate Similarity NPC151725
0.8113 Intermediate Similarity NPC122324
0.8113 Intermediate Similarity NPC471153
0.8113 Intermediate Similarity NPC106425
0.8108 Intermediate Similarity NPC475294
0.8108 Intermediate Similarity NPC220974
0.8103 Intermediate Similarity NPC284068
0.8103 Intermediate Similarity NPC473656
0.8103 Intermediate Similarity NPC239273
0.8103 Intermediate Similarity NPC55296
0.8099 Intermediate Similarity NPC156797
0.8095 Intermediate Similarity NPC470697
0.8087 Intermediate Similarity NPC238667
0.8083 Intermediate Similarity NPC172154
0.8083 Intermediate Similarity NPC81736
0.807 Intermediate Similarity NPC100267
0.807 Intermediate Similarity NPC475524
0.807 Intermediate Similarity NPC475970
0.807 Intermediate Similarity NPC470063
0.8067 Intermediate Similarity NPC170538
0.8056 Intermediate Similarity NPC476274
0.8056 Intermediate Similarity NPC477521
0.8056 Intermediate Similarity NPC117685
0.8053 Intermediate Similarity NPC37116
0.8051 Intermediate Similarity NPC184555
0.8051 Intermediate Similarity NPC476961
0.8051 Intermediate Similarity NPC17938
0.8037 Intermediate Similarity NPC73911
0.8037 Intermediate Similarity NPC292133
0.8037 Intermediate Similarity NPC474343
0.8037 Intermediate Similarity NPC108078
0.8037 Intermediate Similarity NPC110937
0.8037 Intermediate Similarity NPC156546
0.8037 Intermediate Similarity NPC291634
0.8036 Intermediate Similarity NPC306265
0.8036 Intermediate Similarity NPC469844
0.8036 Intermediate Similarity NPC177064
0.8034 Intermediate Similarity NPC257457
0.8034 Intermediate Similarity NPC329736
0.8034 Intermediate Similarity NPC311554
0.8019 Intermediate Similarity NPC210214
0.8019 Intermediate Similarity NPC33473
0.8019 Intermediate Similarity NPC88310
0.8019 Intermediate Similarity NPC183012
0.8018 Intermediate Similarity NPC1679
0.8017 Intermediate Similarity NPC148458
0.8 Intermediate Similarity NPC107674
0.8 Intermediate Similarity NPC55602
0.8 Intermediate Similarity NPC476889
0.8 Intermediate Similarity NPC472929
0.8 Intermediate Similarity NPC141497
0.8 Intermediate Similarity NPC264048
0.8 Intermediate Similarity NPC95899
0.8 Intermediate Similarity NPC73050
0.8 Intermediate Similarity NPC139692
0.8 Intermediate Similarity NPC36688
0.8 Intermediate Similarity NPC204812
0.8 Intermediate Similarity NPC168575
0.8 Intermediate Similarity NPC474185
0.8 Intermediate Similarity NPC170220
0.8 Intermediate Similarity NPC472871
0.7983 Intermediate Similarity NPC46570
0.7982 Intermediate Similarity NPC168319
0.7982 Intermediate Similarity NPC470960
0.7982 Intermediate Similarity NPC194028
0.7966 Intermediate Similarity NPC61520
0.7966 Intermediate Similarity NPC470495
0.7966 Intermediate Similarity NPC475520
0.7966 Intermediate Similarity NPC42673
0.7965 Intermediate Similarity NPC474243
0.7963 Intermediate Similarity NPC218107
0.7963 Intermediate Similarity NPC124512
0.7963 Intermediate Similarity NPC159763
0.7963 Intermediate Similarity NPC194196
0.7963 Intermediate Similarity NPC278386
0.7961 Intermediate Similarity NPC80335
0.7949 Intermediate Similarity NPC471854
0.7949 Intermediate Similarity NPC472934
0.7949 Intermediate Similarity NPC474518
0.7946 Intermediate Similarity NPC470952
0.7946 Intermediate Similarity NPC255387
0.7946 Intermediate Similarity NPC472925
0.7946 Intermediate Similarity NPC131665
0.7944 Intermediate Similarity NPC234993

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC69291 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
0.875 High Similarity NPD7115 Discovery
0.7963 Intermediate Similarity NPD4225 Approved
0.789 Intermediate Similarity NPD7639 Approved
0.789 Intermediate Similarity NPD7640 Approved
0.783 Intermediate Similarity NPD6399 Phase 3
0.7826 Intermediate Similarity NPD6649 Approved
0.7826 Intermediate Similarity NPD6650 Approved
0.7798 Intermediate Similarity NPD7638 Approved
0.7719 Intermediate Similarity NPD6899 Approved
0.7719 Intermediate Similarity NPD6881 Approved
0.7652 Intermediate Similarity NPD6373 Approved
0.7652 Intermediate Similarity NPD6372 Approved
0.7642 Intermediate Similarity NPD5785 Approved
0.7632 Intermediate Similarity NPD5697 Approved
0.7615 Intermediate Similarity NPD4697 Phase 3
0.7586 Intermediate Similarity NPD6883 Approved
0.7586 Intermediate Similarity NPD7290 Approved
0.7586 Intermediate Similarity NPD7102 Approved
0.757 Intermediate Similarity NPD6079 Approved
0.7565 Intermediate Similarity NPD7320 Approved
0.7544 Intermediate Similarity NPD5739 Approved
0.7544 Intermediate Similarity NPD6675 Approved
0.7544 Intermediate Similarity NPD7128 Approved
0.7544 Intermediate Similarity NPD6402 Approved
0.7521 Intermediate Similarity NPD8130 Phase 1
0.7521 Intermediate Similarity NPD6617 Approved
0.7521 Intermediate Similarity NPD6869 Approved
0.7521 Intermediate Similarity NPD6847 Approved
0.75 Intermediate Similarity NPD6013 Approved
0.75 Intermediate Similarity NPD6012 Approved
0.75 Intermediate Similarity NPD6014 Approved
0.7458 Intermediate Similarity NPD8297 Approved
0.7458 Intermediate Similarity NPD6882 Approved
0.7434 Intermediate Similarity NPD5211 Phase 2
0.7434 Intermediate Similarity NPD7632 Discontinued
0.7429 Intermediate Similarity NPD3618 Phase 1
0.7414 Intermediate Similarity NPD6011 Approved
0.7402 Intermediate Similarity NPD7319 Approved
0.7387 Intermediate Similarity NPD6084 Phase 2
0.7387 Intermediate Similarity NPD6083 Phase 2
0.7387 Intermediate Similarity NPD7902 Approved
0.7383 Intermediate Similarity NPD5328 Approved
0.7364 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1694 Approved
0.7328 Intermediate Similarity NPD5701 Approved
0.7304 Intermediate Similarity NPD5141 Approved
0.7302 Intermediate Similarity NPD7507 Approved
0.7297 Intermediate Similarity NPD5222 Approved
0.7297 Intermediate Similarity NPD5221 Approved
0.7297 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7748 Approved
0.7264 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD5285 Approved
0.7257 Intermediate Similarity NPD5286 Approved
0.7257 Intermediate Similarity NPD4696 Approved
0.7248 Intermediate Similarity NPD7515 Phase 2
0.7248 Intermediate Similarity NPD8035 Phase 2
0.7248 Intermediate Similarity NPD7637 Suspended
0.7248 Intermediate Similarity NPD8034 Phase 2
0.7238 Intermediate Similarity NPD4786 Approved
0.7232 Intermediate Similarity NPD5173 Approved
0.7222 Intermediate Similarity NPD7492 Approved
0.7207 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD6319 Approved
0.7177 Intermediate Similarity NPD6054 Approved
0.717 Intermediate Similarity NPD5363 Approved
0.7168 Intermediate Similarity NPD5696 Approved
0.7165 Intermediate Similarity NPD6616 Approved
0.7131 Intermediate Similarity NPD6868 Approved
0.713 Intermediate Similarity NPD5225 Approved
0.713 Intermediate Similarity NPD4633 Approved
0.713 Intermediate Similarity NPD5226 Approved
0.713 Intermediate Similarity NPD6672 Approved
0.713 Intermediate Similarity NPD5224 Approved
0.713 Intermediate Similarity NPD5737 Approved
0.713 Intermediate Similarity NPD6903 Approved
0.7117 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7900 Approved
0.7109 Intermediate Similarity NPD7078 Approved
0.7103 Intermediate Similarity NPD7146 Approved
0.7103 Intermediate Similarity NPD6409 Approved
0.7103 Intermediate Similarity NPD6684 Approved
0.7103 Intermediate Similarity NPD5330 Approved
0.7103 Intermediate Similarity NPD7334 Approved
0.7103 Intermediate Similarity NPD7521 Approved
0.7097 Intermediate Similarity NPD7101 Approved
0.7097 Intermediate Similarity NPD7100 Approved
0.7094 Intermediate Similarity NPD6008 Approved
0.7083 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.708 Intermediate Similarity NPD4755 Approved
0.7069 Intermediate Similarity NPD5174 Approved
0.7069 Intermediate Similarity NPD5175 Approved
0.7063 Intermediate Similarity NPD6370 Approved
0.7054 Intermediate Similarity NPD5210 Approved
0.7054 Intermediate Similarity NPD4629 Approved
0.7054 Intermediate Similarity NPD5695 Phase 3
0.7054 Intermediate Similarity NPD7736 Approved
0.7048 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD3667 Approved
0.7043 Intermediate Similarity NPD5223 Approved
0.7027 Intermediate Similarity NPD4202 Approved
0.7025 Intermediate Similarity NPD6053 Discontinued
0.7016 Intermediate Similarity NPD6335 Approved
0.7009 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4634 Approved
0.7 Intermediate Similarity NPD6371 Approved
0.7 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.6992 Remote Similarity NPD6274 Approved
0.6984 Remote Similarity NPD6015 Approved
0.6984 Remote Similarity NPD6016 Approved
0.6984 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6981 Remote Similarity NPD5362 Discontinued
0.6975 Remote Similarity NPD6686 Approved
0.6975 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6967 Remote Similarity NPD4632 Approved
0.6957 Remote Similarity NPD4700 Approved
0.6944 Remote Similarity NPD5786 Approved
0.6937 Remote Similarity NPD5693 Phase 1
0.6937 Remote Similarity NPD6411 Approved
0.6935 Remote Similarity NPD6317 Approved
0.6929 Remote Similarity NPD5988 Approved
0.6917 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6916 Remote Similarity NPD3665 Phase 1
0.6916 Remote Similarity NPD3133 Approved
0.6916 Remote Similarity NPD3666 Approved
0.6909 Remote Similarity NPD4753 Phase 2
0.6905 Remote Similarity NPD6059 Approved
0.6887 Remote Similarity NPD4270 Approved
0.6887 Remote Similarity NPD4269 Approved
0.688 Remote Similarity NPD6313 Approved
0.688 Remote Similarity NPD6314 Approved
0.6875 Remote Similarity NPD5779 Approved
0.6875 Remote Similarity NPD5778 Approved
0.6846 Remote Similarity NPD8293 Discontinued
0.6833 Remote Similarity NPD4729 Approved
0.6833 Remote Similarity NPD4730 Approved
0.6827 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6814 Remote Similarity NPD6001 Approved
0.68 Remote Similarity NPD6009 Approved
0.6786 Remote Similarity NPD5284 Approved
0.6786 Remote Similarity NPD5281 Approved
0.6757 Remote Similarity NPD6904 Approved
0.6757 Remote Similarity NPD6101 Approved
0.6757 Remote Similarity NPD6673 Approved
0.6757 Remote Similarity NPD6080 Approved
0.6757 Remote Similarity NPD5764 Clinical (unspecified phase)
0.675 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7327 Approved
0.6746 Remote Similarity NPD7328 Approved
0.6744 Remote Similarity NPD7604 Phase 2
0.6727 Remote Similarity NPD3573 Approved
0.6721 Remote Similarity NPD5249 Phase 3
0.6721 Remote Similarity NPD5251 Approved
0.6721 Remote Similarity NPD5247 Approved
0.6721 Remote Similarity NPD5248 Approved
0.6721 Remote Similarity NPD5250 Approved
0.6719 Remote Similarity NPD7503 Approved
0.6719 Remote Similarity NPD6909 Approved
0.6719 Remote Similarity NPD5983 Phase 2
0.6719 Remote Similarity NPD6908 Approved
0.6719 Remote Similarity NPD8033 Approved
0.6698 Remote Similarity NPD4252 Approved
0.6696 Remote Similarity NPD5207 Approved
0.6694 Remote Similarity NPD5168 Approved
0.6694 Remote Similarity NPD5128 Approved
0.6693 Remote Similarity NPD7516 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD7154 Phase 3
0.6667 Remote Similarity NPD5217 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6641 Remote Similarity NPD6336 Discontinued
0.6641 Remote Similarity NPD8377 Approved
0.6641 Remote Similarity NPD8294 Approved
0.6639 Remote Similarity NPD4754 Approved
0.6636 Remote Similarity NPD4623 Approved
0.6636 Remote Similarity NPD5279 Phase 3
0.6636 Remote Similarity NPD5369 Approved
0.6636 Remote Similarity NPD4519 Discontinued
0.6635 Remote Similarity NPD6117 Approved
0.6612 Remote Similarity NPD6412 Phase 2
0.6612 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6051 Approved
0.6606 Remote Similarity NPD3668 Phase 3
0.6589 Remote Similarity NPD8379 Approved
0.6589 Remote Similarity NPD8296 Approved
0.6589 Remote Similarity NPD8335 Approved
0.6589 Remote Similarity NPD8378 Approved
0.6589 Remote Similarity NPD8380 Approved
0.6585 Remote Similarity NPD5135 Approved
0.6585 Remote Similarity NPD5169 Approved
0.6585 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6574 Remote Similarity NPD4223 Phase 3
0.6574 Remote Similarity NPD4221 Approved
0.6571 Remote Similarity NPD6116 Phase 1
0.6545 Remote Similarity NPD5329 Approved
0.6542 Remote Similarity NPD7525 Registered
0.6532 Remote Similarity NPD5127 Approved

Structure

External Identifiers

PubChem CID   66572354
ChEMBL   CHEMBL2047421
ZINC  

Physicochemical Properties

Molecular Weight:  470.27
ALogP:  0.5688
MLogP:  3.88
XLogP:  4.703
# Rotatable Bonds:  10
Polar Surface Area:  100.9
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  34

Download Data

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