Natural Product: NPC169056

Natural Product ID:  NPC169056
Common Name:   Abscisic Acid
IUPAC Name:   (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid
Synonyms:   (+/-)-Abscisic Acid; Abscisic Acid
Molecular Formula:   C15H20O4
Standard InCHIKey:  JLIDBLDQVAYHNE-LXGGSRJLSA-N
Standard InCHI:  InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-
Canonical SMILES:  OC(=O)/C=C(C=CC1(O)C(=CC(=O)CC1(C)C)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
NPO20824 Ecklonia kurome Species Lessoniaceae Eukaryota TM-MC*
NPO22132 Hordeum vulgare Species Poaceae Eukaryota TM-MC*
NPO4554 Isatis tinctoria Species Brassicaceae Eukaryota TM-MC*
NPO14149 Saccharina japonica Species Laminariaceae Eukaryota TM-MC*
NPO1515 Lonicera japonica Species Caprifoliaceae Eukaryota TM-MC*
NPO4446 Prunus davidiana Species Rosaceae Eukaryota TM-MC*
NPO14992 Prunus persica Species Rosaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4912 Individual Protein Cytochrome P450 monooxygenase Arabidopsis thaliana Activity = 22 % 16563759
NPT119 Organism Triticum aestivum Triticum aestivum GI = 100 % 10.1021/np50029a003
NPT119 Organism Triticum aestivum Triticum aestivum GI = 90 % 10.1021/np50029a003
NPT119 Organism Triticum aestivum Triticum aestivum GI = 69 % 10.1021/np50029a003
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 31.6 nM PubChem BioAssay data set
NPT108 Individual Protein Estrogen receptor alpha Homo sapiens Potency 39810.7 nM PubChem BioAssay data set
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 631 nM PubChem BioAssay data set
NPT152 Individual Protein Nuclear factor erythroid 2-related factor 2 Homo sapiens Potency 37578 nM PubChem BioAssay data set
NPT102 Individual Protein Interleukin-8 Homo sapiens Potency 74978 nM PubChem BioAssay data set
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -10.41 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -4.4 % 23062825
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 70.85 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 92.91 % 23571415
NPT2 Others Unspecified Potency 17187 nM PubChem BioAssay data set

  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 NPC169056 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 NPC166018
1.0 High Similarity NPC225665
0.9324 High Similarity NPC160582
0.9155 High Similarity NPC153660
0.9 High Similarity NPC136473
0.863 High Similarity NPC29542
0.863 High Similarity NPC323437
0.863 High Similarity NPC201562
0.7949 Intermediate Similarity NPC82666
0.7945 Intermediate Similarity NPC269985
0.7895 Intermediate Similarity NPC186042
0.7882 Intermediate Similarity NPC36668
0.7882 Intermediate Similarity NPC118011
0.7765 Intermediate Similarity NPC48107
0.7765 Intermediate Similarity NPC72397
0.7722 Intermediate Similarity NPC97377
0.7722 Intermediate Similarity NPC97173
0.7692 Intermediate Similarity NPC476346
0.7683 Intermediate Similarity NPC469799
0.7683 Intermediate Similarity NPC469806
0.7662 Intermediate Similarity NPC130016
0.7662 Intermediate Similarity NPC109576
0.7662 Intermediate Similarity NPC276336
0.7662 Intermediate Similarity NPC56747
0.7662 Intermediate Similarity NPC180015
0.7625 Intermediate Similarity NPC169095
0.7595 Intermediate Similarity NPC151622
0.7595 Intermediate Similarity NPC180886
0.7595 Intermediate Similarity NPC7629
0.759 Intermediate Similarity NPC279639
0.759 Intermediate Similarity NPC3856
0.759 Intermediate Similarity NPC49019
0.7564 Intermediate Similarity NPC122244
0.7564 Intermediate Similarity NPC215050
0.7564 Intermediate Similarity NPC213223
0.7561 Intermediate Similarity NPC226068
0.7532 Intermediate Similarity NPC95863
0.7532 Intermediate Similarity NPC21944
0.7532 Intermediate Similarity NPC133253
0.7531 Intermediate Similarity NPC19900
0.75 Intermediate Similarity NPC61952
0.75 Intermediate Similarity NPC326645
0.75 Intermediate Similarity NPC317177
0.75 Intermediate Similarity NPC204341
0.75 Intermediate Similarity NPC329416
0.75 Intermediate Similarity NPC34110
0.75 Intermediate Similarity NPC317025
0.7471 Intermediate Similarity NPC474918
0.747 Intermediate Similarity NPC469804
0.747 Intermediate Similarity NPC469805
0.7467 Intermediate Similarity NPC254886
0.7467 Intermediate Similarity NPC106613
0.7442 Intermediate Similarity NPC181327
0.7442 Intermediate Similarity NPC476409
0.7439 Intermediate Similarity NPC469798
0.7439 Intermediate Similarity NPC469797
0.7436 Intermediate Similarity NPC238948
0.7436 Intermediate Similarity NPC247586
0.7436 Intermediate Similarity NPC12815
0.7436 Intermediate Similarity NPC215745
0.7407 Intermediate Similarity NPC179028
0.7407 Intermediate Similarity NPC275494
0.7407 Intermediate Similarity NPC198240
0.7407 Intermediate Similarity NPC471409
0.7407 Intermediate Similarity NPC74410
0.7403 Intermediate Similarity NPC203819
0.7391 Intermediate Similarity NPC278008
0.7368 Intermediate Similarity NPC117804
0.7333 Intermediate Similarity NPC78159
0.7326 Intermediate Similarity NPC239685
0.7324 Intermediate Similarity NPC311852
0.7308 Intermediate Similarity NPC288667
0.7303 Intermediate Similarity NPC142838
0.7303 Intermediate Similarity NPC474018
0.7303 Intermediate Similarity NPC252433
0.7303 Intermediate Similarity NPC473986
0.7294 Intermediate Similarity NPC87552
0.7284 Intermediate Similarity NPC257666
0.7284 Intermediate Similarity NPC165711
0.7284 Intermediate Similarity NPC266193
0.7273 Intermediate Similarity NPC262043
0.7273 Intermediate Similarity NPC472688
0.7273 Intermediate Similarity NPC472676
0.7262 Intermediate Similarity NPC38796
0.7262 Intermediate Similarity NPC158411
0.725 Intermediate Similarity NPC476795
0.725 Intermediate Similarity NPC472327
0.7241 Intermediate Similarity NPC136948
0.7222 Intermediate Similarity NPC131840
0.7222 Intermediate Similarity NPC476416
0.7195 Intermediate Similarity NPC248624
0.7195 Intermediate Similarity NPC475994
0.7176 Intermediate Similarity NPC310470
0.7176 Intermediate Similarity NPC102197
0.7176 Intermediate Similarity NPC97913
0.7174 Intermediate Similarity NPC250757
0.7174 Intermediate Similarity NPC301534
0.7162 Intermediate Similarity NPC190049
0.7162 Intermediate Similarity NPC322457
0.716 Intermediate Similarity NPC263582
0.716 Intermediate Similarity NPC472305
0.716 Intermediate Similarity NPC51391
0.716 Intermediate Similarity NPC4492
0.7143 Intermediate Similarity NPC470298
0.7143 Intermediate Similarity NPC278459
0.7143 Intermediate Similarity NPC474980
0.7126 Intermediate Similarity NPC472869
0.7125 Intermediate Similarity NPC237591
0.7125 Intermediate Similarity NPC301065
0.7125 Intermediate Similarity NPC3753
0.7108 Intermediate Similarity NPC308038
0.7105 Intermediate Similarity NPC100719
0.7105 Intermediate Similarity NPC142423
0.7105 Intermediate Similarity NPC166791
0.7105 Intermediate Similarity NPC322035
0.7105 Intermediate Similarity NPC308294
0.7097 Intermediate Similarity NPC208094
0.7093 Intermediate Similarity NPC219966
0.7093 Intermediate Similarity NPC472865
0.7093 Intermediate Similarity NPC164577
0.7093 Intermediate Similarity NPC31086
0.7089 Intermediate Similarity NPC84790
0.7089 Intermediate Similarity NPC67076
0.7089 Intermediate Similarity NPC319163
0.7079 Intermediate Similarity NPC173042
0.7079 Intermediate Similarity NPC214387
0.7073 Intermediate Similarity NPC137547
0.7073 Intermediate Similarity NPC316324
0.7073 Intermediate Similarity NPC132542
0.7067 Intermediate Similarity NPC150162
0.7065 Intermediate Similarity NPC171395
0.7065 Intermediate Similarity NPC295347
0.7059 Intermediate Similarity NPC279186
0.7059 Intermediate Similarity NPC472867
0.7059 Intermediate Similarity NPC302661
0.7059 Intermediate Similarity NPC472239
0.7059 Intermediate Similarity NPC142253
0.7059 Intermediate Similarity NPC3511
0.7059 Intermediate Similarity NPC238991
0.7053 Intermediate Similarity NPC282524
0.7053 Intermediate Similarity NPC115862
0.7051 Intermediate Similarity NPC236208
0.7045 Intermediate Similarity NPC471792
0.7045 Intermediate Similarity NPC476293
0.7042 Intermediate Similarity NPC325977
0.7037 Intermediate Similarity NPC476844
0.7037 Intermediate Similarity NPC469803
0.7037 Intermediate Similarity NPC68624
0.7033 Intermediate Similarity NPC242069
0.7027 Intermediate Similarity NPC64985
0.7024 Intermediate Similarity NPC26139
0.7024 Intermediate Similarity NPC172013
0.7024 Intermediate Similarity NPC271104
0.7021 Intermediate Similarity NPC471717
0.7011 Intermediate Similarity NPC269638
0.7011 Intermediate Similarity NPC52628
0.7011 Intermediate Similarity NPC474860
0.7011 Intermediate Similarity NPC8571
0.7011 Intermediate Similarity NPC307112
0.7011 Intermediate Similarity NPC11711
0.7011 Intermediate Similarity NPC471300
0.7011 Intermediate Similarity NPC109528
0.7 Intermediate Similarity NPC476369
0.7 Intermediate Similarity NPC476437
0.7 Intermediate Similarity NPC134321
0.7 Intermediate Similarity NPC477149
0.7 Intermediate Similarity NPC477147
0.7 Intermediate Similarity NPC35656
0.7 Intermediate Similarity NPC474127
0.6988 Remote Similarity NPC62336
0.6988 Remote Similarity NPC321514
0.6988 Remote Similarity NPC189485
0.697 Remote Similarity NPC264819
0.6966 Remote Similarity NPC104560
0.6966 Remote Similarity NPC472870
0.6966 Remote Similarity NPC117122
0.6962 Remote Similarity NPC315597
0.6957 Remote Similarity NPC476415
0.6957 Remote Similarity NPC299100
0.6957 Remote Similarity NPC38830
0.6951 Remote Similarity NPC309399
0.6951 Remote Similarity NPC19907
0.6951 Remote Similarity NPC76966
0.6951 Remote Similarity NPC186554
0.6947 Remote Similarity NPC266955
0.6944 Remote Similarity NPC283502
0.6941 Remote Similarity NPC275766
0.6941 Remote Similarity NPC6663
0.6941 Remote Similarity NPC142244
0.6941 Remote Similarity NPC477372
0.6941 Remote Similarity NPC90055
0.6941 Remote Similarity NPC225515
0.6941 Remote Similarity NPC40228
0.6941 Remote Similarity NPC471898
0.6933 Remote Similarity NPC288253
0.6932 Remote Similarity NPC234038
0.6932 Remote Similarity NPC6247
0.6932 Remote Similarity NPC472974
0.6932 Remote Similarity NPC322159
0.6932 Remote Similarity NPC198761

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC169056 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
0.75 Intermediate Similarity NPD4192 Approved
0.75 Intermediate Similarity NPD4193 Approved
0.75 Intermediate Similarity NPD4191 Approved
0.75 Intermediate Similarity NPD4194 Approved
0.7303 Intermediate Similarity NPD5284 Approved
0.7303 Intermediate Similarity NPD5281 Approved
0.6932 Remote Similarity NPD4519 Discontinued
0.6932 Remote Similarity NPD4623 Approved
0.6867 Remote Similarity NPD4756 Discovery
0.6824 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1696 Phase 3
0.6786 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6703 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7331 Phase 2
0.663 Remote Similarity NPD5207 Approved
0.6628 Remote Similarity NPD4695 Discontinued
0.6627 Remote Similarity NPD8039 Approved
0.6622 Remote Similarity NPD287 Approved
0.6559 Remote Similarity NPD7515 Phase 2
0.6559 Remote Similarity NPD5694 Approved
0.6556 Remote Similarity NPD5280 Approved
0.6556 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6556 Remote Similarity NPD4694 Approved
0.6506 Remote Similarity NPD4687 Approved
0.6506 Remote Similarity NPD4058 Approved
0.6484 Remote Similarity NPD3573 Approved
0.6477 Remote Similarity NPD4223 Phase 3
0.6477 Remote Similarity NPD4221 Approved
0.6477 Remote Similarity NPD5209 Approved
0.6463 Remote Similarity NPD5276 Approved
0.6452 Remote Similarity NPD5692 Phase 3
0.6452 Remote Similarity NPD5785 Approved
0.6447 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6444 Remote Similarity NPD1694 Approved
0.6444 Remote Similarity NPD5363 Approved
0.6437 Remote Similarity NPD4252 Approved
0.6421 Remote Similarity NPD7748 Approved
0.6413 Remote Similarity NPD4518 Approved
0.6392 Remote Similarity NPD7902 Approved
0.6383 Remote Similarity NPD6050 Approved
0.6374 Remote Similarity NPD5279 Phase 3
0.6374 Remote Similarity NPD3618 Phase 1
0.6374 Remote Similarity NPD5690 Phase 2
0.6354 Remote Similarity NPD5695 Phase 3
0.6333 Remote Similarity NPD4197 Approved
0.6327 Remote Similarity NPD5696 Approved
0.6316 Remote Similarity NPD5778 Approved
0.6316 Remote Similarity NPD5779 Approved
0.631 Remote Similarity NPD5733 Approved
0.6292 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6292 Remote Similarity NPD4270 Approved
0.6292 Remote Similarity NPD4269 Approved
0.6286 Remote Similarity NPD4220 Pre-registration
0.6277 Remote Similarity NPD4096 Approved
0.6264 Remote Similarity NPD5329 Approved
0.6263 Remote Similarity NPD6404 Discontinued
0.6235 Remote Similarity NPD8264 Approved
0.6224 Remote Similarity NPD6083 Phase 2
0.6224 Remote Similarity NPD6084 Phase 2
0.622 Remote Similarity NPD4137 Phase 3
0.6211 Remote Similarity NPD6411 Approved
0.6211 Remote Similarity NPD5693 Phase 1
0.6211 Remote Similarity NPD7637 Suspended
0.6203 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6196 Remote Similarity NPD5205 Approved
0.6196 Remote Similarity NPD4138 Approved
0.6196 Remote Similarity NPD4693 Phase 3
0.6196 Remote Similarity NPD4690 Approved
0.6196 Remote Similarity NPD4688 Approved
0.6196 Remote Similarity NPD4689 Approved
0.6186 Remote Similarity NPD4629 Approved
0.6186 Remote Similarity NPD5210 Approved
0.6186 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6173 Remote Similarity NPD4247 Clinical (unspecified phase)
0.617 Remote Similarity NPD4753 Phase 2
0.617 Remote Similarity NPD6080 Approved
0.617 Remote Similarity NPD6673 Approved
0.617 Remote Similarity NPD6904 Approved
0.6162 Remote Similarity NPD4225 Approved
0.6154 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6154 Remote Similarity NPD3666 Approved
0.6154 Remote Similarity NPD368 Approved
0.6154 Remote Similarity NPD3665 Phase 1
0.6154 Remote Similarity NPD3133 Approved
0.6147 Remote Similarity NPD7115 Discovery
0.6146 Remote Similarity NPD6399 Phase 3
0.6145 Remote Similarity NPD4691 Approved
0.6145 Remote Similarity NPD4747 Approved
0.6139 Remote Similarity NPD5211 Phase 2
0.6136 Remote Similarity NPD4195 Approved
0.6133 Remote Similarity NPD4219 Approved
0.6125 Remote Similarity NPD7341 Phase 2
0.61 Remote Similarity NPD7640 Approved
0.61 Remote Similarity NPD7639 Approved
0.6082 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6082 Remote Similarity NPD6001 Approved
0.6082 Remote Similarity NPD7900 Approved
0.6076 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6067 Remote Similarity NPD4819 Approved
0.6067 Remote Similarity NPD4822 Approved
0.6067 Remote Similarity NPD4821 Approved
0.6067 Remote Similarity NPD4820 Approved
0.6064 Remote Similarity NPD6672 Approved
0.6064 Remote Similarity NPD5208 Approved
0.6064 Remote Similarity NPD5737 Approved
0.6058 Remote Similarity NPD5697 Approved
0.6056 Remote Similarity NPD3173 Approved
0.6044 Remote Similarity NPD6110 Phase 1
0.6044 Remote Similarity NPD5362 Discontinued
0.6042 Remote Similarity NPD6079 Approved
0.6023 Remote Similarity NPD3617 Approved
0.6023 Remote Similarity NPD4268 Approved
0.6023 Remote Similarity NPD4271 Approved
0.6022 Remote Similarity NPD7521 Approved
0.6022 Remote Similarity NPD5330 Approved
0.6022 Remote Similarity NPD7334 Approved
0.6022 Remote Similarity NPD6409 Approved
0.6022 Remote Similarity NPD6684 Approved
0.6022 Remote Similarity NPD7146 Approved
0.6022 Remote Similarity NPD5786 Approved
0.602 Remote Similarity NPD1698 Clinical (unspecified phase)
0.602 Remote Similarity NPD5654 Approved
0.6019 Remote Similarity NPD5141 Approved
0.6 Remote Similarity NPD5328 Approved
0.6 Remote Similarity NPD7638 Approved
0.6 Remote Similarity NPD6011 Approved
0.6 Remote Similarity NPD6899 Approved
0.6 Remote Similarity NPD6881 Approved
0.6 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6 Remote Similarity NPD5369 Approved
0.6 Remote Similarity NPD6101 Approved
0.5981 Remote Similarity NPD6650 Approved
0.5981 Remote Similarity NPD6649 Approved
0.5979 Remote Similarity NPD4202 Approved
0.5979 Remote Similarity NPD5133 Approved
0.5962 Remote Similarity NPD7128 Approved
0.5962 Remote Similarity NPD6402 Approved
0.5962 Remote Similarity NPD6675 Approved
0.5962 Remote Similarity NPD5739 Approved
0.596 Remote Similarity NPD7614 Phase 1
0.596 Remote Similarity NPD5220 Clinical (unspecified phase)
0.596 Remote Similarity NPD5222 Approved
0.596 Remote Similarity NPD5221 Approved
0.596 Remote Similarity NPD4697 Phase 3
0.5946 Remote Similarity NPD3172 Approved
0.5943 Remote Similarity NPD6012 Approved
0.5943 Remote Similarity NPD6013 Approved
0.5943 Remote Similarity NPD6373 Approved
0.5943 Remote Similarity NPD6014 Approved
0.5943 Remote Similarity NPD6831 Clinical (unspecified phase)
0.5943 Remote Similarity NPD6372 Approved
0.5941 Remote Similarity NPD5285 Approved
0.5941 Remote Similarity NPD5286 Approved
0.5941 Remote Similarity NPD4696 Approved
0.5934 Remote Similarity NPD3667 Approved
0.5905 Remote Similarity NPD5701 Approved
0.59 Remote Similarity NPD5959 Approved
0.59 Remote Similarity NPD5173 Approved
0.59 Remote Similarity NPD4755 Approved
0.5895 Remote Similarity NPD6903 Approved
0.5895 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5889 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5888 Remote Similarity NPD6883 Approved
0.5888 Remote Similarity NPD7102 Approved
0.5888 Remote Similarity NPD7290 Approved
0.5882 Remote Similarity NPD5223 Approved
0.587 Remote Similarity NPD3527 Clinical (unspecified phase)
0.587 Remote Similarity NPD5331 Approved
0.587 Remote Similarity NPD5332 Approved
0.587 Remote Similarity NPD7154 Phase 3
0.5867 Remote Similarity NPD3195 Phase 2
0.5867 Remote Similarity NPD3194 Approved
0.5867 Remote Similarity NPD4266 Approved
0.5867 Remote Similarity NPD3196 Approved
0.5857 Remote Similarity NPD4222 Approved
0.5851 Remote Similarity NPD6098 Approved
0.5849 Remote Similarity NPD7320 Approved
0.5843 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5842 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6847 Approved
0.5833 Remote Similarity NPD6869 Approved
0.5833 Remote Similarity NPD8130 Phase 1
0.5833 Remote Similarity NPD6617 Approved
0.5825 Remote Similarity NPD5225 Approved
0.5825 Remote Similarity NPD5224 Approved
0.5825 Remote Similarity NPD5226 Approved
0.5825 Remote Similarity NPD4633 Approved
0.5825 Remote Similarity NPD5091 Approved
0.5824 Remote Similarity NPD4790 Discontinued
0.5814 Remote Similarity NPD4732 Discontinued
0.5806 Remote Similarity NPD4786 Approved
0.5797 Remote Similarity NPD9411 Phase 1
0.5784 Remote Similarity NPD4700 Approved
0.578 Remote Similarity NPD8297 Approved
0.578 Remote Similarity NPD6882 Approved
0.5769 Remote Similarity NPD5175 Approved
0.5769 Remote Similarity NPD5174 Approved
0.5769 Remote Similarity NPD6647 Phase 2
0.5758 Remote Similarity NPD5282 Discontinued

Structure

External Identifiers

PubChem CID   5375199
ChEMBL   CHEMBL379808
ZINC  

Physicochemical Properties

Molecular Weight:  264.14
ALogP:  1.783
MLogP:  2.67
XLogP:  0.878
# Rotatable Bonds:  9
Polar Surface Area:  74.6
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  19

Download Data

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