Natural Product: NPC284915

Natural Product ID:  NPC284915
Common Name:   n.a.
IUPAC Name:  
Synonyms:   2,3-Dihydro-Withaferin A; 2,3-Dihydrowithaferin A
Molecular Formula:   C28H40O6
Standard InCHIKey:  YRXCLNDPESBJHL-CKNDUULBSA-N
Standard InCHI:  InChI=1S/C28H40O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,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]2[C@]3([C@]1(C)C(=O)CC[C@@H]3O)O2)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
NPO14874 Physalis longifolia Species Solanaceae Eukaryota Aerial parts PMID[22098611]
NPO20281 Withania aristata Species Solanaceae Eukaryota PMID[22705001]
NPO15698 Withania somnifera Species Solanaceae Eukaryota PMID[26169123]
NPO15698 Withania somnifera Species Solanaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT169 Cell Line B16-F10 Mus musculus IC50 > 10000 nM 22098611
NPT170 Cell Line SK-MEL-28 Homo sapiens IC50 > 10000 nM 22098611
NPT2 Others Unspecified IC50 > 10000 nM 22098611
NPT165 Cell Line HeLa Homo sapiens IC50 = 28900 nM 22705001
NPT81 Cell Line A549 Homo sapiens IC50 = 33500 nM 22705001
NPT165 Cell Line HeLa Homo sapiens IC50 = 19300 nM 22705001
NPT81 Cell Line A549 Homo sapiens IC50 = 17200 nM 22705001
NPT83 Cell Line MCF7 Homo sapiens IC50 = 14400 nM 22705001
NPT83 Cell Line MCF7 Homo sapiens IC50 = 5400 nM 22705001
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 15500 nM 22705001
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 9000 nM 22705001
NPT189 Cell Line Vero Chlorocebus aethiops Ratio IC50 = 1.1 22705001
NPT2 Others Unspecified IC50 > 10000 nM 24625088
NPT4377 Individual Protein Heat shock 70 kDa protein 6 Homo sapiens FC = 0 24625088
NPT90 Cell Line DU-145 Homo sapiens IC50 > 25000 nM 26169123
NPT2 Others Unspecified IC50 > 25000 nM 26169123
NPT2 Others Unspecified IC50 = 14800 nM 26169123
NPT83 Cell Line MCF7 Homo sapiens IC50 > 25000 nM 26169123

  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 NPC284915 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
0.9545 High Similarity NPC154491
0.9545 High Similarity NPC268530
0.9459 High Similarity NPC4021
0.9459 High Similarity NPC159456
0.9455 High Similarity NPC42673
0.9369 High Similarity NPC251226
0.9279 High Similarity NPC230513
0.9273 High Similarity NPC55296
0.9259 High Similarity NPC476163
0.913 High Similarity NPC120994
0.913 High Similarity NPC203702
0.9099 High Similarity NPC167606
0.9099 High Similarity NPC286528
0.9099 High Similarity NPC20302
0.9099 High Similarity NPC140055
0.9043 High Similarity NPC469790
0.9018 High Similarity NPC50774
0.9018 High Similarity NPC709
0.8972 High Similarity NPC9457
0.8972 High Similarity NPC471783
0.8966 High Similarity NPC293112
0.8957 High Similarity NPC469789
0.8957 High Similarity NPC11895
0.8938 High Similarity NPC264954
0.8929 High Similarity NPC183580
0.8929 High Similarity NPC470492
0.8929 High Similarity NPC312824
0.8929 High Similarity NPC470493
0.8919 High Similarity NPC67259
0.8919 High Similarity NPC147912
0.8879 High Similarity NPC81736
0.8879 High Similarity NPC172154
0.8879 High Similarity NPC8369
0.887 High Similarity NPC170538
0.886 High Similarity NPC474370
0.8839 High Similarity NPC270929
0.8829 High Similarity NPC122056
0.8783 High Similarity NPC67569
0.8707 High Similarity NPC153700
0.8707 High Similarity NPC269642
0.8707 High Similarity NPC23786
0.8707 High Similarity NPC88326
0.8707 High Similarity NPC470265
0.8684 High Similarity NPC329736
0.8684 High Similarity NPC113448
0.8644 High Similarity NPC473635
0.8624 High Similarity NPC473165
0.8609 High Similarity NPC61520
0.8609 High Similarity NPC475041
0.8609 High Similarity NPC473274
0.8598 High Similarity NPC469316
0.8596 High Similarity NPC243065
0.8596 High Similarity NPC470959
0.8596 High Similarity NPC476965
0.8571 High Similarity NPC285956
0.8559 High Similarity NPC470494
0.8559 High Similarity NPC3381
0.8559 High Similarity NPC8374
0.8532 High Similarity NPC470587
0.8522 High Similarity NPC186525
0.8505 High Similarity NPC469327
0.8462 Intermediate Similarity NPC470878
0.8462 Intermediate Similarity NPC473256
0.8435 Intermediate Similarity NPC58662
0.8393 Intermediate Similarity NPC37116
0.8393 Intermediate Similarity NPC470496
0.8376 Intermediate Similarity NPC476961
0.8349 Intermediate Similarity NPC324001
0.8348 Intermediate Similarity NPC64318
0.8333 Intermediate Similarity NPC476897
0.8319 Intermediate Similarity NPC469655
0.8319 Intermediate Similarity NPC474315
0.8319 Intermediate Similarity NPC474846
0.8319 Intermediate Similarity NPC469656
0.8305 Intermediate Similarity NPC46570
0.8304 Intermediate Similarity NPC475065
0.8291 Intermediate Similarity NPC476960
0.8291 Intermediate Similarity NPC473270
0.8291 Intermediate Similarity NPC475520
0.8288 Intermediate Similarity NPC329048
0.8288 Intermediate Similarity NPC330011
0.8279 Intermediate Similarity NPC473593
0.8279 Intermediate Similarity NPC231529
0.8276 Intermediate Similarity NPC469684
0.8246 Intermediate Similarity NPC191620
0.8246 Intermediate Similarity NPC269530
0.8246 Intermediate Similarity NPC69291
0.8235 Intermediate Similarity NPC107493
0.823 Intermediate Similarity NPC29133
0.8214 Intermediate Similarity NPC318363
0.8214 Intermediate Similarity NPC473482
0.8214 Intermediate Similarity NPC475418
0.8205 Intermediate Similarity NPC478206
0.8205 Intermediate Similarity NPC478205
0.8205 Intermediate Similarity NPC311554
0.8205 Intermediate Similarity NPC108581
0.8205 Intermediate Similarity NPC257457
0.8174 Intermediate Similarity NPC317210
0.8174 Intermediate Similarity NPC250109
0.8167 Intermediate Similarity NPC120724
0.8167 Intermediate Similarity NPC204812
0.8158 Intermediate Similarity NPC470961
0.8158 Intermediate Similarity NPC470960
0.8148 Intermediate Similarity NPC471784
0.8148 Intermediate Similarity NPC303777
0.8145 Intermediate Similarity NPC231240
0.8142 Intermediate Similarity NPC475941
0.8142 Intermediate Similarity NPC474901
0.8131 Intermediate Similarity NPC471777
0.8125 Intermediate Similarity NPC91034
0.8125 Intermediate Similarity NPC470952
0.8125 Intermediate Similarity NPC473284
0.8125 Intermediate Similarity NPC131665
0.8125 Intermediate Similarity NPC255387
0.812 Intermediate Similarity NPC53396
0.812 Intermediate Similarity NPC98249
0.812 Intermediate Similarity NPC471854
0.812 Intermediate Similarity NPC13713
0.812 Intermediate Similarity NPC478204
0.8115 Intermediate Similarity NPC473253
0.8115 Intermediate Similarity NPC287423
0.8099 Intermediate Similarity NPC241456
0.8099 Intermediate Similarity NPC32868
0.8091 Intermediate Similarity NPC80781
0.8087 Intermediate Similarity NPC476964
0.8087 Intermediate Similarity NPC42658
0.808 Intermediate Similarity NPC316915
0.8073 Intermediate Similarity NPC198880
0.8073 Intermediate Similarity NPC316964
0.8073 Intermediate Similarity NPC117685
0.807 Intermediate Similarity NPC76084
0.807 Intermediate Similarity NPC473627
0.8067 Intermediate Similarity NPC476962
0.8056 Intermediate Similarity NPC175351
0.8056 Intermediate Similarity NPC151681
0.8056 Intermediate Similarity NPC121402
0.8056 Intermediate Similarity NPC132753
0.8056 Intermediate Similarity NPC224356
0.8053 Intermediate Similarity NPC469916
0.8053 Intermediate Similarity NPC472439
0.8051 Intermediate Similarity NPC240509
0.8051 Intermediate Similarity NPC284707
0.8051 Intermediate Similarity NPC473720
0.8049 Intermediate Similarity NPC473620
0.8037 Intermediate Similarity NPC469329
0.8037 Intermediate Similarity NPC30677
0.8037 Intermediate Similarity NPC473415
0.8037 Intermediate Similarity NPC37787
0.8037 Intermediate Similarity NPC180557
0.8036 Intermediate Similarity NPC323834
0.8034 Intermediate Similarity NPC196931
0.8033 Intermediate Similarity NPC159499
0.8019 Intermediate Similarity NPC274046
0.8019 Intermediate Similarity NPC198074
0.8018 Intermediate Similarity NPC159533
0.8018 Intermediate Similarity NPC475050
0.8018 Intermediate Similarity NPC264048
0.8018 Intermediate Similarity NPC112009
0.8017 Intermediate Similarity NPC475966
0.8017 Intermediate Similarity NPC67251
0.8017 Intermediate Similarity NPC962
0.8017 Intermediate Similarity NPC25909
0.8017 Intermediate Similarity NPC473979
0.8 Intermediate Similarity NPC470779
0.8 Intermediate Similarity NPC129434
0.8 Intermediate Similarity NPC161638
0.7984 Intermediate Similarity NPC470880
0.7984 Intermediate Similarity NPC476966
0.7983 Intermediate Similarity NPC473636
0.7983 Intermediate Similarity NPC211093
0.7983 Intermediate Similarity NPC77689
0.7983 Intermediate Similarity NPC473839
0.7982 Intermediate Similarity NPC41405
0.7967 Intermediate Similarity NPC470882
0.7967 Intermediate Similarity NPC298841
0.7967 Intermediate Similarity NPC156797
0.7967 Intermediate Similarity NPC42399
0.7966 Intermediate Similarity NPC475809
0.7966 Intermediate Similarity NPC134430
0.7966 Intermediate Similarity NPC284068
0.7965 Intermediate Similarity NPC144459
0.7965 Intermediate Similarity NPC469318
0.7965 Intermediate Similarity NPC180744
0.7965 Intermediate Similarity NPC473173
0.7965 Intermediate Similarity NPC67321
0.7965 Intermediate Similarity NPC263729
0.7965 Intermediate Similarity NPC301666
0.7965 Intermediate Similarity NPC112780
0.7965 Intermediate Similarity NPC187435
0.7963 Intermediate Similarity NPC472363
0.7963 Intermediate Similarity NPC472362
0.7963 Intermediate Similarity NPC154526
0.7963 Intermediate Similarity NPC471822
0.7951 Intermediate Similarity NPC476729
0.7951 Intermediate Similarity NPC470922
0.7951 Intermediate Similarity NPC318135
0.7949 Intermediate Similarity NPC474181
0.7944 Intermediate Similarity NPC240617
0.7944 Intermediate Similarity NPC184870
0.7931 Intermediate Similarity NPC475970

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC284915 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
0.9099 High Similarity NPD7115 Discovery
0.7826 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD4225 Approved
0.7698 Intermediate Similarity NPD7319 Approved
0.7607 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD7507 Approved
0.7589 Intermediate Similarity NPD7640 Approved
0.7589 Intermediate Similarity NPD7639 Approved
0.7565 Intermediate Similarity NPD6402 Approved
0.7565 Intermediate Similarity NPD6675 Approved
0.7565 Intermediate Similarity NPD7128 Approved
0.7565 Intermediate Similarity NPD5739 Approved
0.7521 Intermediate Similarity NPD6372 Approved
0.7521 Intermediate Similarity NPD6373 Approved
0.75 Intermediate Similarity NPD7638 Approved
0.7479 Intermediate Similarity NPD8297 Approved
0.7456 Intermediate Similarity NPD7632 Discontinued
0.7436 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD6899 Approved
0.7436 Intermediate Similarity NPD7320 Approved
0.7436 Intermediate Similarity NPD6881 Approved
0.7395 Intermediate Similarity NPD6650 Approved
0.7395 Intermediate Similarity NPD6649 Approved
0.735 Intermediate Similarity NPD5701 Approved
0.735 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD5697 Approved
0.7339 Intermediate Similarity NPD6319 Approved
0.7311 Intermediate Similarity NPD6883 Approved
0.7311 Intermediate Similarity NPD7102 Approved
0.7311 Intermediate Similarity NPD7290 Approved
0.7265 Intermediate Similarity NPD6008 Approved
0.725 Intermediate Similarity NPD6869 Approved
0.725 Intermediate Similarity NPD6617 Approved
0.725 Intermediate Similarity NPD6847 Approved
0.725 Intermediate Similarity NPD8130 Phase 1
0.7248 Intermediate Similarity NPD5328 Approved
0.7227 Intermediate Similarity NPD6012 Approved
0.7227 Intermediate Similarity NPD6014 Approved
0.7227 Intermediate Similarity NPD6013 Approved
0.7209 Intermediate Similarity NPD7736 Approved
0.7207 Intermediate Similarity NPD6399 Phase 3
0.719 Intermediate Similarity NPD6882 Approved
0.7155 Intermediate Similarity NPD5211 Phase 2
0.7143 Intermediate Similarity NPD6011 Approved
0.7143 Intermediate Similarity NPD7748 Approved
0.7131 Intermediate Similarity NPD4632 Approved
0.712 Intermediate Similarity NPD7516 Approved
0.7117 Intermediate Similarity NPD6079 Approved
0.7117 Intermediate Similarity NPD8035 Phase 2
0.7117 Intermediate Similarity NPD8034 Phase 2
0.7117 Intermediate Similarity NPD7515 Phase 2
0.7109 Intermediate Similarity NPD7492 Approved
0.7107 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD6084 Phase 2
0.7105 Intermediate Similarity NPD6083 Phase 2
0.7105 Intermediate Similarity NPD7902 Approved
0.7105 Intermediate Similarity NPD4755 Approved
0.7097 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6054 Approved
0.7063 Intermediate Similarity NPD6059 Approved
0.7054 Intermediate Similarity NPD6616 Approved
0.704 Intermediate Similarity NPD7327 Approved
0.704 Intermediate Similarity NPD7328 Approved
0.7037 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD5141 Approved
0.7031 Intermediate Similarity NPD8328 Phase 3
0.7025 Intermediate Similarity NPD6371 Approved
0.7025 Intermediate Similarity NPD4634 Approved
0.7018 Intermediate Similarity NPD4697 Phase 3
0.7008 Intermediate Similarity NPD8033 Approved
0.7 Intermediate Similarity NPD7078 Approved
0.7 Intermediate Similarity NPD8293 Discontinued
0.6983 Remote Similarity NPD5286 Approved
0.6983 Remote Similarity NPD5285 Approved
0.6983 Remote Similarity NPD4696 Approved
0.6983 Remote Similarity NPD4700 Approved
0.6972 Remote Similarity NPD3618 Phase 1
0.6953 Remote Similarity NPD6370 Approved
0.6942 Remote Similarity NPD8132 Clinical (unspecified phase)
0.693 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6929 Remote Similarity NPD8377 Approved
0.6929 Remote Similarity NPD8294 Approved
0.6911 Remote Similarity NPD6053 Discontinued
0.6899 Remote Similarity NPD7604 Phase 2
0.6897 Remote Similarity NPD5696 Approved
0.688 Remote Similarity NPD6274 Approved
0.6875 Remote Similarity NPD8513 Phase 3
0.6875 Remote Similarity NPD5785 Approved
0.6875 Remote Similarity NPD6015 Approved
0.6875 Remote Similarity NPD8335 Approved
0.6875 Remote Similarity NPD8378 Approved
0.6875 Remote Similarity NPD8380 Approved
0.6875 Remote Similarity NPD8379 Approved
0.6875 Remote Similarity NPD6016 Approved
0.6875 Remote Similarity NPD8296 Approved
0.687 Remote Similarity NPD5220 Clinical (unspecified phase)
0.687 Remote Similarity NPD5222 Approved
0.687 Remote Similarity NPD5221 Approved
0.6864 Remote Similarity NPD5224 Approved
0.6864 Remote Similarity NPD5225 Approved
0.6864 Remote Similarity NPD4633 Approved
0.6864 Remote Similarity NPD5226 Approved
0.686 Remote Similarity NPD6686 Approved
0.6855 Remote Similarity NPD8133 Approved
0.685 Remote Similarity NPD7101 Approved
0.685 Remote Similarity NPD7100 Approved
0.6847 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7900 Approved
0.6842 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6825 Remote Similarity NPD6009 Approved
0.6822 Remote Similarity NPD5988 Approved
0.6818 Remote Similarity NPD3574 Clinical (unspecified phase)
0.681 Remote Similarity NPD5173 Approved
0.6807 Remote Similarity NPD5175 Approved
0.6807 Remote Similarity NPD5174 Approved
0.6789 Remote Similarity NPD4786 Approved
0.6783 Remote Similarity NPD5695 Phase 3
0.678 Remote Similarity NPD5223 Approved
0.678 Remote Similarity NPD4159 Approved
0.678 Remote Similarity NPD5344 Discontinued
0.6777 Remote Similarity NPD6412 Phase 2
0.6772 Remote Similarity NPD6335 Approved
0.6754 Remote Similarity NPD4202 Approved
0.6746 Remote Similarity NPD6868 Approved
0.6744 Remote Similarity NPD5983 Phase 2
0.6744 Remote Similarity NPD7503 Approved
0.6744 Remote Similarity NPD8517 Approved
0.6744 Remote Similarity NPD8516 Approved
0.6744 Remote Similarity NPD8515 Approved
0.6744 Remote Similarity NPD6921 Approved
0.6744 Remote Similarity NPD6908 Approved
0.6744 Remote Similarity NPD6909 Approved
0.6696 Remote Similarity NPD5737 Approved
0.6696 Remote Similarity NPD6672 Approved
0.6694 Remote Similarity NPD4767 Approved
0.6694 Remote Similarity NPD4768 Approved
0.6693 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD4754 Approved
0.6667 Remote Similarity NPD7334 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD5330 Approved
0.6667 Remote Similarity NPD6411 Approved
0.6667 Remote Similarity NPD6684 Approved
0.6667 Remote Similarity NPD5693 Phase 1
0.6667 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD6409 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.6641 Remote Similarity NPD6313 Approved
0.6641 Remote Similarity NPD6314 Approved
0.6638 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6637 Remote Similarity NPD4753 Phase 2
0.6615 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6609 Remote Similarity NPD5778 Approved
0.6609 Remote Similarity NPD5779 Approved
0.6607 Remote Similarity NPD3573 Approved
0.6606 Remote Similarity NPD3667 Approved
0.6604 Remote Similarity NPD6116 Phase 1
0.6585 Remote Similarity NPD4729 Approved
0.6585 Remote Similarity NPD4730 Approved
0.6585 Remote Similarity NPD5128 Approved
0.6579 Remote Similarity NPD46 Approved
0.6579 Remote Similarity NPD6698 Approved
0.6577 Remote Similarity NPD1694 Approved
0.6567 Remote Similarity NPD6033 Approved
0.6552 Remote Similarity NPD6001 Approved
0.6549 Remote Similarity NPD6903 Approved
0.6542 Remote Similarity NPD6114 Approved
0.6542 Remote Similarity NPD6697 Approved
0.6542 Remote Similarity NPD6118 Approved
0.6542 Remote Similarity NPD6115 Approved
0.6518 Remote Similarity NPD5786 Approved
0.6496 Remote Similarity NPD5210 Approved
0.6496 Remote Similarity NPD4629 Approved
0.6491 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6491 Remote Similarity NPD6080 Approved
0.6491 Remote Similarity NPD6673 Approved
0.6491 Remote Similarity NPD6904 Approved
0.6491 Remote Similarity NPD6101 Approved
0.6486 Remote Similarity NPD3133 Approved
0.6486 Remote Similarity NPD3665 Phase 1
0.6486 Remote Similarity NPD3666 Approved
0.648 Remote Similarity NPD5247 Approved
0.648 Remote Similarity NPD5248 Approved
0.648 Remote Similarity NPD5250 Approved
0.648 Remote Similarity NPD5251 Approved
0.648 Remote Similarity NPD5249 Phase 3
0.6476 Remote Similarity NPD6113 Clinical (unspecified phase)
0.646 Remote Similarity NPD7524 Approved
0.6455 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5363 Approved
0.6429 Remote Similarity NPD5215 Approved
0.6429 Remote Similarity NPD5216 Approved
0.6429 Remote Similarity NPD5217 Approved
0.6422 Remote Similarity NPD7525 Registered
0.6417 Remote Similarity NPD6648 Approved
0.6396 Remote Similarity NPD4788 Approved
0.6395 Remote Similarity NPD7236 Approved
0.6379 Remote Similarity NPD5281 Approved

Structure

External Identifiers

PubChem CID   15411208
ChEMBL   CHEMBL1934585
ZINC  

Physicochemical Properties

Molecular Weight:  472.28
ALogP:  0.0273
MLogP:  3.88
XLogP:  3.835
# Rotatable Bonds:  9
Polar Surface Area:  96.36
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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