Natural Product: NPC211162

Natural Product ID:  NPC211162
Common Name:   Ceanothic Acid
IUPAC Name:  
Synonyms:   Ceanothic Acid
Molecular Formula:   C30H46O5
Standard InCHIKey:  WLCHQSHZHFLMJH-VILVJDKQSA-N
Standard InCHI:  InChI=1S/C30H46O5/c1-16(2)17-10-13-30(25(34)35)15-14-27(5)18(21(17)30)8-9-20-28(27,6)12-11-19-26(3,4)23(31)22(24(32)33)29(19,20)7/h17-23,31H,1,8-15H2,2-7H3,(H,32,33)(H,34,35)/t17-,18+,19-,20-,21+,22+,23-,27+,28+,29-,30-/m0/s1
Canonical SMILES:  CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)[C@@H](C(=O)O)[C@@H](C1(C)C)O)C(=O)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
NPO32998 zizyphus cambodiana Species Rhamnaceae Eukaryota PMID[18842418]
NPO4792 Ziziphus mauritiana Species Rhamnaceae Eukaryota PMID[22989532]
NPO9249 Jujubae fructus NA NA NA TCMSP*
NPO887 Cayratiae japonicae herba NA NA NA TCMSP*
NPO20061 Hoveniae dulcis semen NA NA NA TCMSP*
NPO5986 Ziziphus jujuba Species Rhamnaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT377 Cell Line OVCAR-3 Homo sapiens Survival = 68 % 9834149
NPT165 Cell Line HeLa Homo sapiens Survival = 65 % 9834149
NPT1896 Individual Protein Zinc finger protein GLI1 Homo sapiens IC50 > 200000 nM 18842418
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 195000 nM 18842418
NPT90 Cell Line DU-145 Homo sapiens IC50 > 200000 nM 18842418
NPT2 Others Unspecified Activity = 8.5 % 19481937
NPT2 Others Unspecified Activity = 35.7 % 19481937
NPT2 Others Unspecified Activity = 72.1 % 19481937
NPT2 Others Unspecified Activity = 100 % 19481937
NPT2 Others Unspecified IC50 = 400 molar ratio 19481937
NPT80 Cell Line Raji Homo sapiens Activity = 60 % 19481937
NPT80 Cell Line Raji Homo sapiens Activity > 80 % 19481937

  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 NPC211162 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 NPC183374
0.9756 High Similarity NPC80590
0.9643 High Similarity NPC24772
0.9643 High Similarity NPC116146
0.9639 High Similarity NPC134197
0.9157 High Similarity NPC245866
0.8966 High Similarity NPC213832
0.8966 High Similarity NPC57954
0.8941 High Similarity NPC201655
0.8889 High Similarity NPC205173
0.8851 High Similarity NPC146937
0.8851 High Similarity NPC471900
0.8824 High Similarity NPC263974
0.881 High Similarity NPC170985
0.8791 High Similarity NPC234564
0.8736 High Similarity NPC264005
0.8736 High Similarity NPC269360
0.871 High Similarity NPC108371
0.8667 High Similarity NPC473690
0.8667 High Similarity NPC471902
0.8667 High Similarity NPC287118
0.8652 High Similarity NPC169933
0.8621 High Similarity NPC472505
0.8621 High Similarity NPC2783
0.8621 High Similarity NPC70661
0.8588 High Similarity NPC46881
0.8556 High Similarity NPC471901
0.8556 High Similarity NPC475416
0.8537 High Similarity NPC246445
0.8523 High Similarity NPC33768
0.8523 High Similarity NPC96496
0.8506 High Similarity NPC294438
0.8506 High Similarity NPC264317
0.8495 Intermediate Similarity NPC253586
0.8488 Intermediate Similarity NPC471037
0.8478 Intermediate Similarity NPC266431
0.8478 Intermediate Similarity NPC288906
0.8478 Intermediate Similarity NPC263135
0.8478 Intermediate Similarity NPC210214
0.8444 Intermediate Similarity NPC171441
0.8434 Intermediate Similarity NPC66105
0.8427 Intermediate Similarity NPC474719
0.8427 Intermediate Similarity NPC16377
0.8409 Intermediate Similarity NPC12774
0.8372 Intermediate Similarity NPC110780
0.8372 Intermediate Similarity NPC476292
0.8372 Intermediate Similarity NPC474605
0.8352 Intermediate Similarity NPC154101
0.8333 Intermediate Similarity NPC54689
0.8333 Intermediate Similarity NPC271980
0.8333 Intermediate Similarity NPC475921
0.8333 Intermediate Similarity NPC474704
0.8333 Intermediate Similarity NPC220498
0.8333 Intermediate Similarity NPC193934
0.8293 Intermediate Similarity NPC477930
0.828 Intermediate Similarity NPC263347
0.8276 Intermediate Similarity NPC170862
0.8261 Intermediate Similarity NPC470375
0.8261 Intermediate Similarity NPC470376
0.8247 Intermediate Similarity NPC470310
0.8235 Intermediate Similarity NPC201459
0.8235 Intermediate Similarity NPC192744
0.8222 Intermediate Similarity NPC328313
0.8222 Intermediate Similarity NPC255176
0.8222 Intermediate Similarity NPC4309
0.8214 Intermediate Similarity NPC68828
0.8211 Intermediate Similarity NPC16911
0.8211 Intermediate Similarity NPC78427
0.8202 Intermediate Similarity NPC155011
0.8202 Intermediate Similarity NPC475007
0.8202 Intermediate Similarity NPC212843
0.8191 Intermediate Similarity NPC327788
0.8191 Intermediate Similarity NPC13949
0.8182 Intermediate Similarity NPC82902
0.8172 Intermediate Similarity NPC47853
0.8172 Intermediate Similarity NPC277399
0.8171 Intermediate Similarity NPC244708
0.8171 Intermediate Similarity NPC161187
0.8171 Intermediate Similarity NPC330659
0.8161 Intermediate Similarity NPC145143
0.8161 Intermediate Similarity NPC477858
0.8161 Intermediate Similarity NPC477935
0.8152 Intermediate Similarity NPC211403
0.8152 Intermediate Similarity NPC23434
0.8152 Intermediate Similarity NPC250753
0.8152 Intermediate Similarity NPC198242
0.8144 Intermediate Similarity NPC124544
0.8132 Intermediate Similarity NPC247312
0.8132 Intermediate Similarity NPC474570
0.8132 Intermediate Similarity NPC215029
0.8132 Intermediate Similarity NPC476733
0.8132 Intermediate Similarity NPC271974
0.8125 Intermediate Similarity NPC37047
0.8125 Intermediate Similarity NPC41971
0.8125 Intermediate Similarity NPC94906
0.8125 Intermediate Similarity NPC180733
0.8125 Intermediate Similarity NPC287676
0.8111 Intermediate Similarity NPC474684
0.8111 Intermediate Similarity NPC142361
0.8111 Intermediate Similarity NPC317590
0.8111 Intermediate Similarity NPC57469
0.8111 Intermediate Similarity NPC312215
0.8111 Intermediate Similarity NPC165895
0.8105 Intermediate Similarity NPC475894
0.8105 Intermediate Similarity NPC156546
0.8095 Intermediate Similarity NPC477932
0.8095 Intermediate Similarity NPC477933
0.809 Intermediate Similarity NPC102292
0.809 Intermediate Similarity NPC474218
0.8085 Intermediate Similarity NPC469599
0.8081 Intermediate Similarity NPC265127
0.8068 Intermediate Similarity NPC472498
0.8068 Intermediate Similarity NPC475726
0.8068 Intermediate Similarity NPC472743
0.8068 Intermediate Similarity NPC291320
0.8068 Intermediate Similarity NPC167103
0.8068 Intermediate Similarity NPC471036
0.8065 Intermediate Similarity NPC224060
0.8065 Intermediate Similarity NPC206810
0.8065 Intermediate Similarity NPC294263
0.8065 Intermediate Similarity NPC152897
0.8065 Intermediate Similarity NPC66429
0.8065 Intermediate Similarity NPC244356
0.8065 Intermediate Similarity NPC243866
0.8065 Intermediate Similarity NPC291373
0.8046 Intermediate Similarity NPC103754
0.8046 Intermediate Similarity NPC232625
0.8046 Intermediate Similarity NPC474484
0.8043 Intermediate Similarity NPC149761
0.8043 Intermediate Similarity NPC470378
0.8043 Intermediate Similarity NPC261994
0.8043 Intermediate Similarity NPC180849
0.8041 Intermediate Similarity NPC71706
0.8041 Intermediate Similarity NPC75941
0.8041 Intermediate Similarity NPC289148
0.8041 Intermediate Similarity NPC39683
0.8041 Intermediate Similarity NPC52899
0.8041 Intermediate Similarity NPC163963
0.8022 Intermediate Similarity NPC183546
0.8022 Intermediate Similarity NPC254572
0.8022 Intermediate Similarity NPC250687
0.8022 Intermediate Similarity NPC242864
0.8022 Intermediate Similarity NPC229407
0.8022 Intermediate Similarity NPC48824
0.8022 Intermediate Similarity NPC294480
0.8022 Intermediate Similarity NPC56413
0.8021 Intermediate Similarity NPC472028
0.8 Intermediate Similarity NPC329910
0.8 Intermediate Similarity NPC471035
0.8 Intermediate Similarity NPC120708
0.8 Intermediate Similarity NPC55309
0.8 Intermediate Similarity NPC469867
0.8 Intermediate Similarity NPC477919
0.8 Intermediate Similarity NPC477918
0.8 Intermediate Similarity NPC29152
0.8 Intermediate Similarity NPC28252
0.8 Intermediate Similarity NPC180199
0.8 Intermediate Similarity NPC212661
0.8 Intermediate Similarity NPC474433
0.8 Intermediate Similarity NPC469994
0.8 Intermediate Similarity NPC106078
0.7979 Intermediate Similarity NPC470385
0.7979 Intermediate Similarity NPC470386
0.7978 Intermediate Similarity NPC474233
0.7978 Intermediate Similarity NPC475745
0.7978 Intermediate Similarity NPC474482
0.7978 Intermediate Similarity NPC74595
0.7978 Intermediate Similarity NPC165064
0.7978 Intermediate Similarity NPC264665
0.7976 Intermediate Similarity NPC477934
0.7959 Intermediate Similarity NPC88203
0.7959 Intermediate Similarity NPC76866
0.7959 Intermediate Similarity NPC148628
0.7959 Intermediate Similarity NPC246736
0.7959 Intermediate Similarity NPC214946
0.7959 Intermediate Similarity NPC286519
0.7959 Intermediate Similarity NPC304832
0.7957 Intermediate Similarity NPC299185
0.7957 Intermediate Similarity NPC160506
0.7957 Intermediate Similarity NPC324341
0.7957 Intermediate Similarity NPC288833
0.7957 Intermediate Similarity NPC282616
0.7957 Intermediate Similarity NPC966
0.7957 Intermediate Similarity NPC6255
0.7957 Intermediate Similarity NPC471747
0.7957 Intermediate Similarity NPC471588
0.7957 Intermediate Similarity NPC189520
0.7957 Intermediate Similarity NPC155120
0.7957 Intermediate Similarity NPC228784
0.7955 Intermediate Similarity NPC477936
0.7952 Intermediate Similarity NPC279241
0.7941 Intermediate Similarity NPC106760
0.7935 Intermediate Similarity NPC477943
0.7935 Intermediate Similarity NPC269267
0.7935 Intermediate Similarity NPC155479
0.7931 Intermediate Similarity NPC170038
0.7931 Intermediate Similarity NPC274522
0.7931 Intermediate Similarity NPC164999
0.7931 Intermediate Similarity NPC476265
0.7927 Intermediate Similarity NPC91369

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC211162 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
0.8506 High Similarity NPD7520 Clinical (unspecified phase)
0.8276 Intermediate Similarity NPD4788 Approved
0.7957 Intermediate Similarity NPD8035 Phase 2
0.7957 Intermediate Similarity NPD8034 Phase 2
0.7917 Intermediate Similarity NPD6083 Phase 2
0.7917 Intermediate Similarity NPD6084 Phase 2
0.7882 Intermediate Similarity NPD6117 Approved
0.7857 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6903 Approved
0.7791 Intermediate Similarity NPD6116 Phase 1
0.7778 Intermediate Similarity NPD3665 Phase 1
0.7778 Intermediate Similarity NPD3666 Approved
0.7778 Intermediate Similarity NPD4786 Approved
0.7778 Intermediate Similarity NPD3133 Approved
0.7745 Intermediate Similarity NPD7320 Approved
0.7742 Intermediate Similarity NPD4753 Phase 2
0.7711 Intermediate Similarity NPD4245 Approved
0.7711 Intermediate Similarity NPD4244 Approved
0.7701 Intermediate Similarity NPD6115 Approved
0.7701 Intermediate Similarity NPD6697 Approved
0.7701 Intermediate Similarity NPD6118 Approved
0.7701 Intermediate Similarity NPD6114 Approved
0.7684 Intermediate Similarity NPD6399 Phase 3
0.7634 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7609 Intermediate Similarity NPD6409 Approved
0.7609 Intermediate Similarity NPD5330 Approved
0.7609 Intermediate Similarity NPD6684 Approved
0.7609 Intermediate Similarity NPD7521 Approved
0.7609 Intermediate Similarity NPD7334 Approved
0.7609 Intermediate Similarity NPD7146 Approved
0.759 Intermediate Similarity NPD3698 Phase 2
0.7556 Intermediate Similarity NPD3667 Approved
0.7549 Intermediate Similarity NPD5739 Approved
0.7549 Intermediate Similarity NPD6675 Approved
0.7549 Intermediate Similarity NPD6402 Approved
0.7549 Intermediate Similarity NPD7128 Approved
0.7526 Intermediate Similarity NPD5695 Phase 3
0.7475 Intermediate Similarity NPD5696 Approved
0.7412 Intermediate Similarity NPD5777 Approved
0.7412 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD6081 Approved
0.7404 Intermediate Similarity NPD6899 Approved
0.7404 Intermediate Similarity NPD6881 Approved
0.7396 Intermediate Similarity NPD7515 Phase 2
0.7374 Intermediate Similarity NPD4755 Approved
0.7368 Intermediate Similarity NPD5328 Approved
0.7363 Intermediate Similarity NPD4221 Approved
0.7363 Intermediate Similarity NPD4223 Phase 3
0.7356 Intermediate Similarity NPD3702 Approved
0.7347 Intermediate Similarity NPD4629 Approved
0.7347 Intermediate Similarity NPD5210 Approved
0.7333 Intermediate Similarity NPD6373 Approved
0.7333 Intermediate Similarity NPD6372 Approved
0.732 Intermediate Similarity NPD4202 Approved
0.7312 Intermediate Similarity NPD5329 Approved
0.7308 Intermediate Similarity NPD5701 Approved
0.7308 Intermediate Similarity NPD5697 Approved
0.73 Intermediate Similarity NPD7638 Approved
0.7294 Intermediate Similarity NPD4789 Approved
0.7264 Intermediate Similarity NPD6883 Approved
0.7264 Intermediate Similarity NPD7290 Approved
0.7264 Intermediate Similarity NPD7102 Approved
0.7263 Intermediate Similarity NPD5737 Approved
0.7263 Intermediate Similarity NPD6672 Approved
0.7234 Intermediate Similarity NPD6098 Approved
0.7234 Intermediate Similarity NPD3618 Phase 1
0.7229 Intermediate Similarity NPD4224 Phase 2
0.7228 Intermediate Similarity NPD5286 Approved
0.7228 Intermediate Similarity NPD4696 Approved
0.7228 Intermediate Similarity NPD7640 Approved
0.7228 Intermediate Similarity NPD5285 Approved
0.7228 Intermediate Similarity NPD4700 Approved
0.7228 Intermediate Similarity NPD7639 Approved
0.7216 Intermediate Similarity NPD6079 Approved
0.7216 Intermediate Similarity NPD5281 Approved
0.7216 Intermediate Similarity NPD5284 Approved
0.7204 Intermediate Similarity NPD4197 Approved
0.7196 Intermediate Similarity NPD6617 Approved
0.7196 Intermediate Similarity NPD6869 Approved
0.7196 Intermediate Similarity NPD6649 Approved
0.7196 Intermediate Similarity NPD8130 Phase 1
0.7196 Intermediate Similarity NPD6650 Approved
0.7196 Intermediate Similarity NPD6847 Approved
0.7188 Intermediate Similarity NPD6080 Approved
0.7188 Intermediate Similarity NPD6673 Approved
0.7188 Intermediate Similarity NPD6904 Approved
0.7176 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD6013 Approved
0.717 Intermediate Similarity NPD6014 Approved
0.717 Intermediate Similarity NPD6012 Approved
0.7143 Intermediate Similarity NPD7525 Registered
0.713 Intermediate Similarity NPD8297 Approved
0.713 Intermediate Similarity NPD6882 Approved
0.7108 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD5362 Discontinued
0.7087 Intermediate Similarity NPD5211 Phase 2
0.7087 Intermediate Similarity NPD4633 Approved
0.7087 Intermediate Similarity NPD5226 Approved
0.7087 Intermediate Similarity NPD5224 Approved
0.7087 Intermediate Similarity NPD5225 Approved
0.7079 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD6011 Approved
0.7071 Intermediate Similarity NPD7748 Approved
0.7065 Intermediate Similarity NPD5369 Approved
0.7053 Intermediate Similarity NPD4689 Approved
0.7053 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5279 Phase 3
0.7053 Intermediate Similarity NPD5205 Approved
0.7053 Intermediate Similarity NPD4138 Approved
0.7053 Intermediate Similarity NPD4688 Approved
0.7053 Intermediate Similarity NPD4693 Phase 3
0.7053 Intermediate Similarity NPD4690 Approved
0.7041 Intermediate Similarity NPD6411 Approved
0.7041 Intermediate Similarity NPD7637 Suspended
0.7037 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD3668 Phase 3
0.7019 Intermediate Similarity NPD5175 Approved
0.7019 Intermediate Similarity NPD5174 Approved
0.699 Remote Similarity NPD5223 Approved
0.6989 Remote Similarity NPD4270 Approved
0.6989 Remote Similarity NPD4269 Approved
0.6981 Remote Similarity NPD6412 Phase 2
0.6966 Remote Similarity NPD7339 Approved
0.6966 Remote Similarity NPD6942 Approved
0.6957 Remote Similarity NPD5368 Approved
0.6952 Remote Similarity NPD5141 Approved
0.6944 Remote Similarity NPD4634 Approved
0.6931 Remote Similarity NPD5222 Approved
0.6931 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6931 Remote Similarity NPD4697 Phase 3
0.6931 Remote Similarity NPD5221 Approved
0.6923 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7078 Approved
0.6915 Remote Similarity NPD5332 Approved
0.6915 Remote Similarity NPD5331 Approved
0.6909 Remote Similarity NPD8133 Approved
0.6907 Remote Similarity NPD5208 Approved
0.6897 Remote Similarity NPD7492 Approved
0.6887 Remote Similarity NPD4768 Approved
0.6887 Remote Similarity NPD4767 Approved
0.6882 Remote Similarity NPD4139 Approved
0.6882 Remote Similarity NPD4790 Discontinued
0.6882 Remote Similarity NPD4692 Approved
0.6875 Remote Similarity NPD5280 Approved
0.6875 Remote Similarity NPD5690 Phase 2
0.6875 Remote Similarity NPD4694 Approved
0.6875 Remote Similarity NPD7115 Discovery
0.6869 Remote Similarity NPD6050 Approved
0.6869 Remote Similarity NPD5693 Phase 1
0.6864 Remote Similarity NPD7736 Approved
0.6863 Remote Similarity NPD7902 Approved
0.6863 Remote Similarity NPD5173 Approved
0.686 Remote Similarity NPD5360 Phase 3
0.686 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4754 Approved
0.6842 Remote Similarity NPD6059 Approved
0.6842 Remote Similarity NPD6319 Approved
0.6842 Remote Similarity NPD6054 Approved
0.6838 Remote Similarity NPD6616 Approved
0.6837 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6837 Remote Similarity NPD6101 Approved
0.6837 Remote Similarity NPD6051 Approved
0.6818 Remote Similarity NPD4243 Approved
0.6818 Remote Similarity NPD6053 Discontinued
0.6809 Remote Similarity NPD6435 Approved
0.6807 Remote Similarity NPD7319 Approved
0.6786 Remote Similarity NPD6274 Approved
0.678 Remote Similarity NPD8293 Discontinued
0.6778 Remote Similarity NPD3703 Phase 2
0.6774 Remote Similarity NPD4252 Approved
0.6771 Remote Similarity NPD5363 Approved
0.6768 Remote Similarity NPD5692 Phase 3
0.6768 Remote Similarity NPD5785 Approved
0.6768 Remote Similarity NPD5207 Approved
0.6762 Remote Similarity NPD7632 Discontinued
0.6759 Remote Similarity NPD4730 Approved
0.6759 Remote Similarity NPD4729 Approved
0.6759 Remote Similarity NPD5128 Approved
0.6757 Remote Similarity NPD4632 Approved
0.6754 Remote Similarity NPD7100 Approved
0.6754 Remote Similarity NPD7101 Approved
0.6739 Remote Similarity NPD3617 Approved
0.6733 Remote Similarity NPD6001 Approved
0.6729 Remote Similarity NPD6008 Approved
0.6724 Remote Similarity NPD6370 Approved
0.6707 Remote Similarity NPD3198 Approved
0.6701 Remote Similarity NPD5786 Approved
0.67 Remote Similarity NPD5694 Approved
0.6695 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD6924 Approved
0.6667 Remote Similarity NPD4785 Approved
0.6667 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6335 Approved
0.6667 Remote Similarity NPD4784 Approved
0.6667 Remote Similarity NPD6926 Approved
0.6667 Remote Similarity NPD4195 Approved
0.6638 Remote Similarity NPD6908 Approved

Structure

External Identifiers

PubChem CID   161352
ChEMBL   CHEMBL491069
ZINC  

Physicochemical Properties

Molecular Weight:  486.33
ALogP:  2.1906
MLogP:  4.21
XLogP:  8.319
# Rotatable Bonds:  12
Polar Surface Area:  94.83
# H-Bond Aceptor:  5
# H-Bond Donor:  3
# Rings:  5
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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