Natural Product: NPC120539

Natural Product ID:  NPC120539
Common Name:   [(1S,4S,5As,5Br,7As,11As,11Br,13As,13Br)-4-Hydroxy-5B,8,8,11A,13A-Pentamethyl-1,4,5,5A,6,7,7A,9,10,11,11B,12,13,13B-Tetradecahydrophenanthro[1,2-G][2]Benzofuran-1-Yl] Acetate
IUPAC Name:   [(1S,4S,5aS,5bR,7aS,11aS,11bR,13aS,13bR)-4-hydroxy-5b,8,8,11a,13a-pentamethyl-1,4,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[1,2-g][2]benzofuran-1-yl] acetate
Synonyms:  
Molecular Formula:   C27H42O4
Standard InCHIKey:  FQJRSISTDYPNPR-ARCYHYOLSA-N
Standard InCHI:  InChI=1S/C27H42O4/c1-16(28)31-23-22-17(15-30-23)18(29)14-21-26(5)12-8-19-24(2,3)10-7-11-25(19,4)20(26)9-13-27(21,22)6/h15,18-23,29H,7-14H2,1-6H3/t18-,19-,20+,21-,22+,23-,25-,26+,27-/m0/s1
Canonical SMILES:  CC(=O)O[C@@H]1OC=C2[C@H]1[C@@]1(C)CC[C@H]3[C@@]([C@@H]1C[C@@H]2O)(C)CC[C@@H]1[C@]3(C)CCCC1(C)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
NPO32965 smenospongia sp. Species Thorectidae Eukaryota PMID[18973387]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens LC50 = 5.8 ug/ml DrugMatrix in vivo data: Pathology
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 100 ug/ml 26331426
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 3.12 ug/ml 27096049
NPT4391 Individual Protein Isocitrate lyase Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Rice blast fungus)(Pyricularia oryzae) IC50 > 100 ug/ml PubChem BioAssay data set
NPT766 Organism Proteus vulgaris Proteus vulgaris MIC > 100 ug/ml PubChem BioAssay data set
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 12.5 ug/ml DrugMatrix in vivo data: Pathology
NPT19 Organism Escherichia coli Escherichia coli MIC > 100 ug/ml 9213587
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100 ug/ml 22180047

  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 NPC120539 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
0.9655 High Similarity NPC246860
0.9231 High Similarity NPC97867
0.9195 High Similarity NPC144069
0.8791 High Similarity NPC163902
0.8511 High Similarity NPC164750
0.8333 Intermediate Similarity NPC168231
0.8152 Intermediate Similarity NPC263079
0.8061 Intermediate Similarity NPC146188
0.8061 Intermediate Similarity NPC219285
0.8061 Intermediate Similarity NPC161527
0.8061 Intermediate Similarity NPC477971
0.8061 Intermediate Similarity NPC228251
0.8061 Intermediate Similarity NPC477972
0.8061 Intermediate Similarity NPC477968
0.8061 Intermediate Similarity NPC20113
0.8043 Intermediate Similarity NPC288952
0.8022 Intermediate Similarity NPC164424
0.802 Intermediate Similarity NPC165405
0.8 Intermediate Similarity NPC5280
0.7979 Intermediate Similarity NPC471371
0.7979 Intermediate Similarity NPC471370
0.7957 Intermediate Similarity NPC160304
0.7941 Intermediate Similarity NPC470169
0.7941 Intermediate Similarity NPC470170
0.7917 Intermediate Similarity NPC469697
0.7895 Intermediate Similarity NPC329842
0.7895 Intermediate Similarity NPC472811
0.7882 Intermediate Similarity NPC12680
0.7879 Intermediate Similarity NPC477716
0.7879 Intermediate Similarity NPC477721
0.7857 Intermediate Similarity NPC471770
0.7857 Intermediate Similarity NPC477719
0.7857 Intermediate Similarity NPC278939
0.7857 Intermediate Similarity NPC477718
0.7857 Intermediate Similarity NPC473555
0.7843 Intermediate Similarity NPC470055
0.7843 Intermediate Similarity NPC470056
0.7812 Intermediate Similarity NPC26046
0.7812 Intermediate Similarity NPC472812
0.7802 Intermediate Similarity NPC474284
0.7802 Intermediate Similarity NPC474346
0.7802 Intermediate Similarity NPC474253
0.7802 Intermediate Similarity NPC213737
0.7802 Intermediate Similarity NPC475820
0.78 Intermediate Similarity NPC477717
0.7789 Intermediate Similarity NPC123252
0.7789 Intermediate Similarity NPC194485
0.7789 Intermediate Similarity NPC219937
0.7789 Intermediate Similarity NPC469403
0.7789 Intermediate Similarity NPC53890
0.7778 Intermediate Similarity NPC157739
0.7778 Intermediate Similarity NPC474092
0.7767 Intermediate Similarity NPC470166
0.7766 Intermediate Similarity NPC16377
0.7755 Intermediate Similarity NPC299654
0.7755 Intermediate Similarity NPC8954
0.7755 Intermediate Similarity NPC94905
0.7755 Intermediate Similarity NPC162346
0.7742 Intermediate Similarity NPC471369
0.7742 Intermediate Similarity NPC137306
0.7742 Intermediate Similarity NPC187545
0.7742 Intermediate Similarity NPC84121
0.7732 Intermediate Similarity NPC298973
0.7732 Intermediate Similarity NPC470255
0.7732 Intermediate Similarity NPC324078
0.7732 Intermediate Similarity NPC104925
0.7732 Intermediate Similarity NPC211238
0.7723 Intermediate Similarity NPC31085
0.7717 Intermediate Similarity NPC299963
0.7717 Intermediate Similarity NPC471367
0.77 Intermediate Similarity NPC471247
0.77 Intermediate Similarity NPC324841
0.77 Intermediate Similarity NPC317019
0.7692 Intermediate Similarity NPC472504
0.7692 Intermediate Similarity NPC2096
0.7692 Intermediate Similarity NPC208912
0.7684 Intermediate Similarity NPC293044
0.7667 Intermediate Similarity NPC206735
0.7667 Intermediate Similarity NPC304194
0.766 Intermediate Similarity NPC33768
0.7653 Intermediate Similarity NPC472441
0.7653 Intermediate Similarity NPC286612
0.7653 Intermediate Similarity NPC477969
0.7653 Intermediate Similarity NPC477970
0.7653 Intermediate Similarity NPC135224
0.7653 Intermediate Similarity NPC100892
0.7653 Intermediate Similarity NPC230347
0.7653 Intermediate Similarity NPC275310
0.7647 Intermediate Similarity NPC471467
0.7634 Intermediate Similarity NPC191965
0.7629 Intermediate Similarity NPC12297
0.7624 Intermediate Similarity NPC144486
0.7624 Intermediate Similarity NPC121072
0.7624 Intermediate Similarity NPC21064
0.7604 Intermediate Similarity NPC471433
0.7604 Intermediate Similarity NPC78973
0.7604 Intermediate Similarity NPC471432
0.76 Intermediate Similarity NPC473154
0.76 Intermediate Similarity NPC325229
0.76 Intermediate Similarity NPC469725
0.76 Intermediate Similarity NPC477928
0.76 Intermediate Similarity NPC275086
0.7579 Intermediate Similarity NPC319030
0.7579 Intermediate Similarity NPC472810
0.7579 Intermediate Similarity NPC474629
0.7579 Intermediate Similarity NPC472809
0.7579 Intermediate Similarity NPC4309
0.7573 Intermediate Similarity NPC173583
0.7573 Intermediate Similarity NPC470768
0.7556 Intermediate Similarity NPC305835
0.7553 Intermediate Similarity NPC173917
0.7553 Intermediate Similarity NPC471368
0.7553 Intermediate Similarity NPC474970
0.7553 Intermediate Similarity NPC2783
0.7553 Intermediate Similarity NPC12774
0.7551 Intermediate Similarity NPC189513
0.7551 Intermediate Similarity NPC3359
0.7549 Intermediate Similarity NPC177701
0.7549 Intermediate Similarity NPC470571
0.7549 Intermediate Similarity NPC154452
0.7528 Intermediate Similarity NPC212241
0.7528 Intermediate Similarity NPC248830
0.7528 Intermediate Similarity NPC119355
0.7528 Intermediate Similarity NPC84868
0.7527 Intermediate Similarity NPC319238
0.7527 Intermediate Similarity NPC102048
0.7526 Intermediate Similarity NPC160506
0.7526 Intermediate Similarity NPC48463
0.7526 Intermediate Similarity NPC130840
0.7525 Intermediate Similarity NPC91497
0.7524 Intermediate Similarity NPC300614
0.7524 Intermediate Similarity NPC88744
0.7524 Intermediate Similarity NPC325054
0.7524 Intermediate Similarity NPC90946
0.75 Intermediate Similarity NPC51499
0.75 Intermediate Similarity NPC470763
0.75 Intermediate Similarity NPC470425
0.75 Intermediate Similarity NPC470734
0.75 Intermediate Similarity NPC98112
0.75 Intermediate Similarity NPC473199
0.75 Intermediate Similarity NPC470767
0.75 Intermediate Similarity NPC158347
0.75 Intermediate Similarity NPC144075
0.7476 Intermediate Similarity NPC281378
0.7476 Intermediate Similarity NPC120009
0.7476 Intermediate Similarity NPC471208
0.7476 Intermediate Similarity NPC473198
0.7476 Intermediate Similarity NPC45897
0.7475 Intermediate Similarity NPC241047
0.7474 Intermediate Similarity NPC269360
0.7474 Intermediate Similarity NPC264005
0.7453 Intermediate Similarity NPC91583
0.7453 Intermediate Similarity NPC206618
0.7453 Intermediate Similarity NPC240125
0.7453 Intermediate Similarity NPC31522
0.7453 Intermediate Similarity NPC51947
0.7453 Intermediate Similarity NPC473844
0.7451 Intermediate Similarity NPC470168
0.7449 Intermediate Similarity NPC474835
0.7449 Intermediate Similarity NPC475061
0.7449 Intermediate Similarity NPC287118
0.7449 Intermediate Similarity NPC473690
0.7449 Intermediate Similarity NPC53555
0.7449 Intermediate Similarity NPC471902
0.7447 Intermediate Similarity NPC264317
0.7447 Intermediate Similarity NPC294438
0.7444 Intermediate Similarity NPC301707
0.7431 Intermediate Similarity NPC472274
0.7431 Intermediate Similarity NPC469821
0.7429 Intermediate Similarity NPC473538
0.7429 Intermediate Similarity NPC234160
0.7429 Intermediate Similarity NPC283849
0.7429 Intermediate Similarity NPC475074
0.7426 Intermediate Similarity NPC474440
0.7423 Intermediate Similarity NPC474728
0.7423 Intermediate Similarity NPC10274
0.7419 Intermediate Similarity NPC132386
0.7419 Intermediate Similarity NPC471037
0.7419 Intermediate Similarity NPC473742
0.7416 Intermediate Similarity NPC14112
0.7416 Intermediate Similarity NPC38141
0.7416 Intermediate Similarity NPC86305
0.7404 Intermediate Similarity NPC470062
0.7404 Intermediate Similarity NPC470060
0.7404 Intermediate Similarity NPC470064
0.7404 Intermediate Similarity NPC470058
0.7404 Intermediate Similarity NPC470043
0.7404 Intermediate Similarity NPC222161
0.7404 Intermediate Similarity NPC470057
0.7404 Intermediate Similarity NPC470059
0.7404 Intermediate Similarity NPC470061
0.74 Intermediate Similarity NPC111834
0.74 Intermediate Similarity NPC327179
0.74 Intermediate Similarity NPC253115
0.74 Intermediate Similarity NPC317573
0.74 Intermediate Similarity NPC472989
0.74 Intermediate Similarity NPC306797
0.74 Intermediate Similarity NPC116457
0.74 Intermediate Similarity NPC304899
0.74 Intermediate Similarity NPC169270

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC120539 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
0.7526 Intermediate Similarity NPD8034 Phase 2
0.7526 Intermediate Similarity NPD8035 Phase 2
0.7447 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD8133 Approved
0.708 Intermediate Similarity NPD7327 Approved
0.708 Intermediate Similarity NPD7328 Approved
0.7043 Intermediate Similarity NPD8033 Approved
0.703 Intermediate Similarity NPD7748 Approved
0.7019 Intermediate Similarity NPD7640 Approved
0.7019 Intermediate Similarity NPD7639 Approved
0.7018 Intermediate Similarity NPD7516 Approved
0.7 Intermediate Similarity NPD7515 Phase 2
0.699 Remote Similarity NPD7902 Approved
0.6989 Remote Similarity NPD7645 Phase 2
0.6957 Remote Similarity NPD8294 Approved
0.6957 Remote Similarity NPD8377 Approved
0.6931 Remote Similarity NPD6399 Phase 3
0.6923 Remote Similarity NPD7638 Approved
0.6915 Remote Similarity NPD7525 Registered
0.6897 Remote Similarity NPD8379 Approved
0.6897 Remote Similarity NPD8296 Approved
0.6897 Remote Similarity NPD8335 Approved
0.6897 Remote Similarity NPD8380 Approved
0.6897 Remote Similarity NPD8378 Approved
0.6881 Remote Similarity NPD6686 Approved
0.6804 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6752 Remote Similarity NPD7503 Approved
0.6699 Remote Similarity NPD7900 Approved
0.6699 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6696 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7507 Approved
0.6636 Remote Similarity NPD6412 Phase 2
0.6604 Remote Similarity NPD4225 Approved
0.6596 Remote Similarity NPD6116 Phase 1
0.6574 Remote Similarity NPD7632 Discontinued
0.6562 Remote Similarity NPD6928 Phase 2
0.6559 Remote Similarity NPD6942 Approved
0.6559 Remote Similarity NPD7339 Approved
0.6504 Remote Similarity NPD7319 Approved
0.65 Remote Similarity NPD8328 Phase 3
0.6491 Remote Similarity NPD6882 Approved
0.6489 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6489 Remote Similarity NPD6117 Approved
0.6465 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6465 Remote Similarity NPD4786 Approved
0.6452 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6429 Remote Similarity NPD3667 Approved
0.6396 Remote Similarity NPD6402 Approved
0.6396 Remote Similarity NPD5739 Approved
0.6396 Remote Similarity NPD6675 Approved
0.6396 Remote Similarity NPD7128 Approved
0.6373 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6695 Phase 3
0.6364 Remote Similarity NPD4788 Approved
0.6354 Remote Similarity NPD6114 Approved
0.6354 Remote Similarity NPD6697 Approved
0.6354 Remote Similarity NPD6115 Approved
0.6354 Remote Similarity NPD6118 Approved
0.6346 Remote Similarity NPD7637 Suspended
0.6311 Remote Similarity NPD6051 Approved
0.629 Remote Similarity NPD7736 Approved
0.6286 Remote Similarity NPD8171 Discontinued
0.6283 Remote Similarity NPD6881 Approved
0.6283 Remote Similarity NPD7320 Approved
0.6283 Remote Similarity NPD6899 Approved
0.6271 Remote Similarity NPD7115 Discovery
0.6228 Remote Similarity NPD6372 Approved
0.6228 Remote Similarity NPD6373 Approved
0.6204 Remote Similarity NPD6083 Phase 2
0.6204 Remote Similarity NPD6084 Phase 2
0.6195 Remote Similarity NPD5697 Approved
0.6195 Remote Similarity NPD5701 Approved
0.619 Remote Similarity NPD6411 Approved
0.6176 Remote Similarity NPD7146 Approved
0.6176 Remote Similarity NPD7521 Approved
0.6176 Remote Similarity NPD3618 Phase 1
0.6176 Remote Similarity NPD5330 Approved
0.6176 Remote Similarity NPD7334 Approved
0.6176 Remote Similarity NPD6409 Approved
0.6176 Remote Similarity NPD6684 Approved
0.6174 Remote Similarity NPD7290 Approved
0.6174 Remote Similarity NPD7102 Approved
0.6174 Remote Similarity NPD6883 Approved
0.6154 Remote Similarity NPD5328 Approved
0.6154 Remote Similarity NPD7285 Clinical (unspecified phase)
0.614 Remote Similarity NPD6011 Approved
0.6122 Remote Similarity NPD6929 Approved
0.6121 Remote Similarity NPD6847 Approved
0.6121 Remote Similarity NPD6617 Approved
0.6121 Remote Similarity NPD6649 Approved
0.6121 Remote Similarity NPD8130 Phase 1
0.6121 Remote Similarity NPD6869 Approved
0.6121 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6121 Remote Similarity NPD6650 Approved
0.6117 Remote Similarity NPD7524 Approved
0.6117 Remote Similarity NPD7750 Discontinued
0.6117 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6105 Remote Similarity NPD6926 Approved
0.6105 Remote Similarity NPD6924 Approved
0.61 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6012 Approved
0.6087 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6013 Approved
0.6087 Remote Similarity NPD6014 Approved
0.608 Remote Similarity NPD8293 Discontinued
0.6068 Remote Similarity NPD8297 Approved
0.6064 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6064 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6061 Remote Similarity NPD6930 Phase 2
0.6061 Remote Similarity NPD7509 Discontinued
0.6061 Remote Similarity NPD6931 Approved
0.6058 Remote Similarity NPD6672 Approved
0.6058 Remote Similarity NPD6903 Approved
0.6058 Remote Similarity NPD5737 Approved
0.6042 Remote Similarity NPD8264 Approved
0.604 Remote Similarity NPD7154 Phase 3
0.6038 Remote Similarity NPD6079 Approved
0.6022 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6022 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6022 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6018 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6016 Remote Similarity NPD6370 Approved
0.6 Remote Similarity NPD6009 Approved
0.6 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6 Remote Similarity NPD6101 Approved
0.5982 Remote Similarity NPD5211 Phase 2
0.5981 Remote Similarity NPD5779 Approved
0.5981 Remote Similarity NPD4202 Approved
0.5981 Remote Similarity NPD5778 Approved
0.598 Remote Similarity NPD3665 Phase 1
0.598 Remote Similarity NPD3668 Phase 3
0.598 Remote Similarity NPD3666 Approved
0.598 Remote Similarity NPD3133 Approved
0.5979 Remote Similarity NPD6933 Approved
0.5968 Remote Similarity NPD6067 Discontinued
0.5935 Remote Similarity NPD8513 Phase 3
0.5935 Remote Similarity NPD8516 Approved
0.5935 Remote Similarity NPD8515 Approved
0.5935 Remote Similarity NPD8517 Approved
0.592 Remote Similarity NPD7492 Approved
0.5918 Remote Similarity NPD6925 Approved
0.5918 Remote Similarity NPD5776 Phase 2
0.5909 Remote Similarity NPD4755 Approved
0.59 Remote Similarity NPD5790 Clinical (unspecified phase)
0.59 Remote Similarity NPD4748 Discontinued
0.5897 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5895 Remote Similarity NPD7151 Approved
0.5895 Remote Similarity NPD5777 Approved
0.5895 Remote Similarity NPD7152 Approved
0.5895 Remote Similarity NPD7150 Approved
0.5893 Remote Similarity NPD5344 Discontinued
0.5888 Remote Similarity NPD7087 Discontinued
0.5882 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3669 Approved
0.5877 Remote Similarity NPD5141 Approved
0.5873 Remote Similarity NPD6616 Approved
0.5872 Remote Similarity NPD5695 Phase 3
0.5859 Remote Similarity NPD7145 Approved
0.5859 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5856 Remote Similarity NPD5696 Approved
0.5854 Remote Similarity NPD6054 Approved
0.5854 Remote Similarity NPD6059 Approved
0.5851 Remote Similarity NPD6923 Approved
0.5851 Remote Similarity NPD6922 Approved
0.5843 Remote Similarity NPD1145 Discontinued
0.5827 Remote Similarity NPD7078 Approved
0.5826 Remote Similarity NPD6008 Approved
0.582 Remote Similarity NPD6335 Approved
0.5818 Remote Similarity NPD4697 Phase 3
0.5818 Remote Similarity NPD5221 Approved
0.5818 Remote Similarity NPD5222 Approved
0.5818 Remote Similarity NPD5220 Clinical (unspecified phase)
0.581 Remote Similarity NPD4250 Approved
0.581 Remote Similarity NPD3573 Approved
0.581 Remote Similarity NPD4251 Approved
0.5804 Remote Similarity NPD5285 Approved
0.5804 Remote Similarity NPD4700 Approved
0.5804 Remote Similarity NPD5286 Approved
0.5804 Remote Similarity NPD4696 Approved
0.5798 Remote Similarity NPD6053 Discontinued
0.5789 Remote Similarity NPD4787 Phase 1
0.5789 Remote Similarity NPD7143 Approved
0.5789 Remote Similarity NPD4245 Approved
0.5789 Remote Similarity NPD4244 Approved
0.5789 Remote Similarity NPD7144 Approved
0.5785 Remote Similarity NPD6274 Approved
0.5785 Remote Similarity NPD6940 Discontinued
0.5785 Remote Similarity NPD6868 Approved
0.5773 Remote Similarity NPD4785 Approved
0.5773 Remote Similarity NPD1810 Approved
0.5773 Remote Similarity NPD4784 Approved
0.5773 Remote Similarity NPD1811 Approved
0.5772 Remote Similarity NPD7101 Approved
0.5772 Remote Similarity NPD7100 Approved
0.5769 Remote Similarity NPD6893 Approved
0.5766 Remote Similarity NPD5173 Approved
0.5755 Remote Similarity NPD7625 Phase 1
0.5752 Remote Similarity NPD5223 Approved

Structure

External Identifiers

PubChem CID   25158708
ChEMBL   CHEMBL572476
ZINC  

Physicochemical Properties

Molecular Weight:  430.31
ALogP:  1.1696
MLogP:  3.99
XLogP:  8.987
# Rotatable Bonds:  9
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  31

Download Data

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Similar NPs/Drugs