Natural Product: NPC475011

Natural Product ID:  NPC475011
Common Name:   Methyl 2-[5-Hydroxy-2-[(6E,13E)-12-Hydroxy-3,7,11,15-Tetramethylhexadeca-1,6,13,15-Tetraen-3-Yl]Oxyphenyl]Acetate
IUPAC Name:   methyl 2-[5-hydroxy-2-[(6E,13E)-12-hydroxy-3,7,11,15-tetramethylhexadeca-1,6,13,15-tetraen-3-yl]oxyphenyl]acetate
Synonyms:  
Molecular Formula:   C29H42O5
Standard InCHIKey:  RKZJVJMWRATIOY-OYKAJTBBSA-N
Standard InCHI:  InChI=1S/C29H42O5/c1-8-29(6,34-27-17-15-25(30)19-24(27)20-28(32)33-7)18-10-12-22(4)11-9-13-23(5)26(31)16-14-21(2)3/h8,12,14-17,19,23,26,30-31H,1-2,9-11,13,18,20H2,3-7H3/b16-14+,22-12+
Canonical SMILES:  COC(=O)Cc1cc(O)ccc1OC(CC/C=C(/CCCC(C(/C=C/C(=C)C)O)C)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
NPO11479 Sargassum siliquastrum Species Sargassaceae Eukaryota Subtidal zone (0-2 m) off the southwestern shore of Jeju Island, Korea 2003-APR PMID[18817444]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1087 Individual Protein Isocitrate lyase Candida albicans IC50 = 50 ug/ml 15730238
NPT2 Others Unspecified IC50 > 200 ug/ml 15270564

  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 NPC475011 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
0.9771 High Similarity NPC475028
0.9771 High Similarity NPC476025
0.9692 High Similarity NPC475029
0.9692 High Similarity NPC476018
0.9624 High Similarity NPC475063
0.9624 High Similarity NPC475044
0.9474 High Similarity NPC474943
0.9474 High Similarity NPC475005
0.9403 High Similarity NPC475045
0.9118 High Similarity NPC475012
0.8855 High Similarity NPC474944
0.8722 High Similarity NPC476024
0.8714 High Similarity NPC164599
0.8712 High Similarity NPC476022
0.8712 High Similarity NPC474945
0.8667 High Similarity NPC474143
0.8667 High Similarity NPC474246
0.8593 High Similarity NPC475880
0.8561 High Similarity NPC474237
0.8496 Intermediate Similarity NPC477213
0.8467 Intermediate Similarity NPC329427
0.8467 Intermediate Similarity NPC317601
0.8456 Intermediate Similarity NPC163169
0.8456 Intermediate Similarity NPC123
0.8451 Intermediate Similarity NPC184053
0.837 Intermediate Similarity NPC142087
0.837 Intermediate Similarity NPC477214
0.837 Intermediate Similarity NPC319422
0.837 Intermediate Similarity NPC477212
0.837 Intermediate Similarity NPC477211
0.837 Intermediate Similarity NPC95034
0.8359 Intermediate Similarity NPC322358
0.8345 Intermediate Similarity NPC477210
0.8333 Intermediate Similarity NPC474599
0.8311 Intermediate Similarity NPC475890
0.8296 Intermediate Similarity NPC475236
0.8276 Intermediate Similarity NPC274085
0.8276 Intermediate Similarity NPC89664
0.8276 Intermediate Similarity NPC469683
0.8264 Intermediate Similarity NPC474154
0.8248 Intermediate Similarity NPC59654
0.8239 Intermediate Similarity NPC98395
0.8231 Intermediate Similarity NPC66991
0.8214 Intermediate Similarity NPC34456
0.8207 Intermediate Similarity NPC51106
0.8207 Intermediate Similarity NPC469615
0.8207 Intermediate Similarity NPC473090
0.8182 Intermediate Similarity NPC79372
0.8182 Intermediate Similarity NPC474131
0.8182 Intermediate Similarity NPC232295
0.8176 Intermediate Similarity NPC228012
0.8175 Intermediate Similarity NPC473744
0.8163 Intermediate Similarity NPC286038
0.8151 Intermediate Similarity NPC213900
0.8148 Intermediate Similarity NPC221798
0.8143 Intermediate Similarity NPC129889
0.8143 Intermediate Similarity NPC470871
0.8143 Intermediate Similarity NPC307006
0.8138 Intermediate Similarity NPC474385
0.8134 Intermediate Similarity NPC302211
0.8134 Intermediate Similarity NPC46586
0.8134 Intermediate Similarity NPC204535
0.8133 Intermediate Similarity NPC48671
0.8129 Intermediate Similarity NPC473777
0.8129 Intermediate Similarity NPC258073
0.812 Intermediate Similarity NPC475529
0.812 Intermediate Similarity NPC473875
0.8116 Intermediate Similarity NPC271832
0.8112 Intermediate Similarity NPC265335
0.8108 Intermediate Similarity NPC113428
0.8108 Intermediate Similarity NPC61284
0.8108 Intermediate Similarity NPC472969
0.8106 Intermediate Similarity NPC32152
0.8102 Intermediate Similarity NPC121104
0.8082 Intermediate Similarity NPC472006
0.8079 Intermediate Similarity NPC474843
0.8079 Intermediate Similarity NPC34965
0.8079 Intermediate Similarity NPC183536
0.8074 Intermediate Similarity NPC474130
0.8071 Intermediate Similarity NPC470160
0.8071 Intermediate Similarity NPC476389
0.8071 Intermediate Similarity NPC302844
0.8071 Intermediate Similarity NPC474635
0.8071 Intermediate Similarity NPC269421
0.8069 Intermediate Similarity NPC1704
0.8069 Intermediate Similarity NPC67650
0.8067 Intermediate Similarity NPC469619
0.8067 Intermediate Similarity NPC469670
0.8067 Intermediate Similarity NPC140133
0.8067 Intermediate Similarity NPC37348
0.8058 Intermediate Similarity NPC109778
0.8058 Intermediate Similarity NPC327457
0.8058 Intermediate Similarity NPC86774
0.8056 Intermediate Similarity NPC147379
0.8054 Intermediate Similarity NPC98809
0.8054 Intermediate Similarity NPC476394
0.8043 Intermediate Similarity NPC2596
0.8043 Intermediate Similarity NPC201419
0.8042 Intermediate Similarity NPC187826
0.8042 Intermediate Similarity NPC470397
0.8041 Intermediate Similarity NPC107625
0.8041 Intermediate Similarity NPC308799
0.8039 Intermediate Similarity NPC317383
0.803 Intermediate Similarity NPC283616
0.8029 Intermediate Similarity NPC110211
0.8029 Intermediate Similarity NPC204579
0.8028 Intermediate Similarity NPC281169
0.8028 Intermediate Similarity NPC161856
0.8028 Intermediate Similarity NPC470990
0.8028 Intermediate Similarity NPC291119
0.8028 Intermediate Similarity NPC51087
0.8028 Intermediate Similarity NPC142027
0.8027 Intermediate Similarity NPC113397
0.8027 Intermediate Similarity NPC280404
0.8027 Intermediate Similarity NPC477409
0.8027 Intermediate Similarity NPC469642
0.8027 Intermediate Similarity NPC86373
0.8027 Intermediate Similarity NPC277426
0.8027 Intermediate Similarity NPC210425
0.8026 Intermediate Similarity NPC301233
0.8015 Intermediate Similarity NPC190086
0.8015 Intermediate Similarity NPC276962
0.8014 Intermediate Similarity NPC472591
0.8014 Intermediate Similarity NPC229916
0.8014 Intermediate Similarity NPC329493
0.8013 Intermediate Similarity NPC240768
0.8013 Intermediate Similarity NPC200773
0.8013 Intermediate Similarity NPC70016
0.8013 Intermediate Similarity NPC215921
0.8 Intermediate Similarity NPC69403
0.8 Intermediate Similarity NPC42262
0.8 Intermediate Similarity NPC32749
0.8 Intermediate Similarity NPC477151
0.8 Intermediate Similarity NPC241349
0.8 Intermediate Similarity NPC220496
0.8 Intermediate Similarity NPC291189
0.8 Intermediate Similarity NPC37992
0.8 Intermediate Similarity NPC142530
0.8 Intermediate Similarity NPC469911
0.8 Intermediate Similarity NPC147542
0.8 Intermediate Similarity NPC132518
0.8 Intermediate Similarity NPC100675
0.8 Intermediate Similarity NPC327916
0.8 Intermediate Similarity NPC49441
0.7987 Intermediate Similarity NPC140722
0.7987 Intermediate Similarity NPC472036
0.7987 Intermediate Similarity NPC4958
0.7987 Intermediate Similarity NPC83975
0.7987 Intermediate Similarity NPC92054
0.7986 Intermediate Similarity NPC319870
0.7986 Intermediate Similarity NPC73078
0.7986 Intermediate Similarity NPC97326
0.7986 Intermediate Similarity NPC327612
0.7986 Intermediate Similarity NPC148738
0.7985 Intermediate Similarity NPC96423
0.7973 Intermediate Similarity NPC288910
0.7973 Intermediate Similarity NPC133060
0.7973 Intermediate Similarity NPC470554
0.7973 Intermediate Similarity NPC98356
0.7973 Intermediate Similarity NPC118059
0.7972 Intermediate Similarity NPC278832
0.7972 Intermediate Similarity NPC475111
0.7972 Intermediate Similarity NPC64157
0.7971 Intermediate Similarity NPC281020
0.7971 Intermediate Similarity NPC71525
0.7961 Intermediate Similarity NPC167903
0.7961 Intermediate Similarity NPC281272
0.7959 Intermediate Similarity NPC469542
0.7958 Intermediate Similarity NPC311339
0.7956 Intermediate Similarity NPC131397
0.7956 Intermediate Similarity NPC320847
0.7956 Intermediate Similarity NPC476254
0.7955 Intermediate Similarity NPC238176
0.7955 Intermediate Similarity NPC187993
0.7949 Intermediate Similarity NPC124747
0.7949 Intermediate Similarity NPC155754
0.7949 Intermediate Similarity NPC3629
0.7947 Intermediate Similarity NPC474735
0.7945 Intermediate Similarity NPC475730
0.7945 Intermediate Similarity NPC471444
0.7945 Intermediate Similarity NPC307287
0.7945 Intermediate Similarity NPC257003
0.7943 Intermediate Similarity NPC118253
0.7941 Intermediate Similarity NPC261992
0.7933 Intermediate Similarity NPC471642
0.7933 Intermediate Similarity NPC240253
0.7933 Intermediate Similarity NPC240622
0.7933 Intermediate Similarity NPC191634
0.7933 Intermediate Similarity NPC471641
0.7931 Intermediate Similarity NPC299405
0.7931 Intermediate Similarity NPC471602
0.7931 Intermediate Similarity NPC76312
0.7931 Intermediate Similarity NPC29771
0.7931 Intermediate Similarity NPC306835
0.7931 Intermediate Similarity NPC476477
0.7931 Intermediate Similarity NPC256463
0.7931 Intermediate Similarity NPC470399
0.7931 Intermediate Similarity NPC473988
0.7931 Intermediate Similarity NPC216312
0.7931 Intermediate Similarity NPC111422

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475011 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
0.8409 Intermediate Similarity NPD1608 Approved
0.8227 Intermediate Similarity NPD7033 Discontinued
0.8219 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD17 Approved
0.8182 Intermediate Similarity NPD1778 Approved
0.812 Intermediate Similarity NPD3496 Discontinued
0.8112 Intermediate Similarity NPD6002 Phase 3
0.8112 Intermediate Similarity NPD6005 Phase 3
0.8112 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.8112 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.8112 Intermediate Similarity NPD6004 Phase 3
0.8077 Intermediate Similarity NPD6671 Approved
0.7945 Intermediate Similarity NPD4628 Phase 3
0.7945 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD6100 Approved
0.7917 Intermediate Similarity NPD6099 Approved
0.7887 Intermediate Similarity NPD6355 Discontinued
0.7877 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7842 Intermediate Similarity NPD2861 Phase 2
0.7832 Intermediate Similarity NPD6653 Approved
0.7801 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7793 Intermediate Similarity NPD2935 Discontinued
0.7737 Intermediate Similarity NPD1481 Phase 2
0.7698 Intermediate Similarity NPD2797 Approved
0.7692 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD6798 Discontinued
0.7676 Intermediate Similarity NPD3268 Approved
0.7664 Intermediate Similarity NPD1535 Discovery
0.7643 Intermediate Similarity NPD5647 Approved
0.763 Intermediate Similarity NPD9545 Approved
0.7628 Intermediate Similarity NPD5402 Approved
0.7626 Intermediate Similarity NPD6696 Suspended
0.7622 Intermediate Similarity NPD6233 Phase 2
0.7619 Intermediate Similarity NPD5762 Approved
0.7619 Intermediate Similarity NPD5763 Approved
0.7616 Intermediate Similarity NPD2534 Approved
0.7616 Intermediate Similarity NPD2532 Approved
0.7616 Intermediate Similarity NPD2533 Approved
0.7582 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD5585 Approved
0.7571 Intermediate Similarity NPD6362 Approved
0.7569 Intermediate Similarity NPD4060 Phase 1
0.7564 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD7819 Suspended
0.7564 Intermediate Similarity NPD2801 Approved
0.7552 Intermediate Similarity NPD7985 Registered
0.7552 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7551 Intermediate Similarity NPD6032 Approved
0.7548 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD5844 Phase 1
0.7534 Intermediate Similarity NPD7097 Phase 1
0.7532 Intermediate Similarity NPD7075 Discontinued
0.7532 Intermediate Similarity NPD3226 Approved
0.7517 Intermediate Similarity NPD447 Suspended
0.75 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1934 Approved
0.75 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2799 Discontinued
0.7482 Intermediate Similarity NPD9717 Approved
0.7467 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD7229 Phase 3
0.7452 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD1549 Phase 2
0.7434 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD1551 Phase 2
0.7431 Intermediate Similarity NPD2313 Discontinued
0.7429 Intermediate Similarity NPD4749 Approved
0.7419 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD6190 Approved
0.7413 Intermediate Similarity NPD6832 Phase 2
0.7405 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD4622 Approved
0.7397 Intermediate Similarity NPD4618 Approved
0.7397 Intermediate Similarity NPD230 Phase 1
0.7397 Intermediate Similarity NPD5124 Phase 1
0.7397 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD2346 Discontinued
0.7376 Intermediate Similarity NPD3225 Approved
0.7376 Intermediate Similarity NPD1283 Approved
0.7372 Intermediate Similarity NPD1894 Discontinued
0.7365 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4308 Phase 3
0.7361 Intermediate Similarity NPD7095 Approved
0.7351 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD3750 Approved
0.7351 Intermediate Similarity NPD4110 Phase 3
0.7343 Intermediate Similarity NPD2237 Approved
0.7342 Intermediate Similarity NPD8455 Phase 2
0.7329 Intermediate Similarity NPD2979 Phase 3
0.7325 Intermediate Similarity NPD7411 Suspended
0.7324 Intermediate Similarity NPD3266 Approved
0.7324 Intermediate Similarity NPD1203 Approved
0.7324 Intermediate Similarity NPD3267 Approved
0.732 Intermediate Similarity NPD6799 Approved
0.7315 Intermediate Similarity NPD4476 Approved
0.7315 Intermediate Similarity NPD4477 Approved
0.7315 Intermediate Similarity NPD2796 Approved
0.7312 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD411 Approved
0.7305 Intermediate Similarity NPD4359 Approved
0.7297 Intermediate Similarity NPD5689 Approved
0.7297 Intermediate Similarity NPD5688 Approved
0.7296 Intermediate Similarity NPD3817 Phase 2
0.7292 Intermediate Similarity NPD4908 Phase 1
0.7289 Intermediate Similarity NPD7074 Phase 3
0.7286 Intermediate Similarity NPD1091 Approved
0.7286 Intermediate Similarity NPD1611 Approved
0.7286 Intermediate Similarity NPD422 Phase 1
0.7284 Intermediate Similarity NPD7199 Phase 2
0.7279 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6801 Discontinued
0.7278 Intermediate Similarity NPD6844 Discontinued
0.7278 Intermediate Similarity NPD37 Approved
0.7273 Intermediate Similarity NPD3818 Discontinued
0.7267 Intermediate Similarity NPD6800 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD4626 Approved
0.7261 Intermediate Similarity NPD4380 Phase 2
0.726 Intermediate Similarity NPD4062 Phase 3
0.7256 Intermediate Similarity NPD6166 Phase 2
0.7256 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD6667 Approved
0.7255 Intermediate Similarity NPD6666 Approved
0.7252 Intermediate Similarity NPD968 Approved
0.725 Intermediate Similarity NPD4967 Phase 2
0.725 Intermediate Similarity NPD4966 Approved
0.725 Intermediate Similarity NPD7768 Phase 2
0.725 Intermediate Similarity NPD4965 Approved
0.725 Intermediate Similarity NPD3882 Suspended
0.7248 Intermediate Similarity NPD1510 Phase 2
0.7246 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD3787 Discontinued
0.7235 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD7054 Approved
0.7226 Intermediate Similarity NPD6273 Approved
0.7226 Intermediate Similarity NPD7340 Approved
0.7225 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD5494 Approved
0.7219 Intermediate Similarity NPD8313 Approved
0.7219 Intermediate Similarity NPD8312 Approved
0.7212 Intermediate Similarity NPD7473 Discontinued
0.7211 Intermediate Similarity NPD1613 Approved
0.7211 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1240 Approved
0.7211 Intermediate Similarity NPD4140 Approved
0.7208 Intermediate Similarity NPD1511 Approved
0.7197 Intermediate Similarity NPD290 Approved
0.7194 Intermediate Similarity NPD5691 Approved
0.7193 Intermediate Similarity NPD8434 Phase 2
0.7192 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD3764 Approved
0.7186 Intermediate Similarity NPD7472 Approved
0.7185 Intermediate Similarity NPD7843 Approved
0.7179 Intermediate Similarity NPD5403 Approved
0.7178 Intermediate Similarity NPD8127 Discontinued
0.7174 Intermediate Similarity NPD7644 Approved
0.7172 Intermediate Similarity NPD2614 Approved
0.7163 Intermediate Similarity NPD1610 Phase 2
0.7163 Intermediate Similarity NPD1281 Approved
0.7161 Intermediate Similarity NPD3146 Approved
0.7161 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6234 Discontinued
0.7153 Intermediate Similarity NPD1019 Discontinued
0.7153 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD7157 Approved
0.7152 Intermediate Similarity NPD6599 Discontinued
0.7152 Intermediate Similarity NPD2344 Approved
0.7143 Intermediate Similarity NPD4870 Approved
0.7143 Intermediate Similarity NPD2684 Approved
0.7143 Intermediate Similarity NPD8032 Phase 2
0.7143 Intermediate Similarity NPD6652 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD6232 Discontinued
0.7134 Intermediate Similarity NPD1653 Approved
0.7132 Intermediate Similarity NPD1241 Discontinued
0.7126 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD3027 Phase 3
0.7123 Intermediate Similarity NPD4625 Phase 3
0.7115 Intermediate Similarity NPD1512 Approved
0.7114 Intermediate Similarity NPD1607 Approved
0.7113 Intermediate Similarity NPD2235 Phase 2
0.7113 Intermediate Similarity NPD2231 Phase 2
0.7105 Intermediate Similarity NPD2424 Discontinued
0.7103 Intermediate Similarity NPD9494 Approved
0.7101 Intermediate Similarity NPD7251 Discontinued
0.7101 Intermediate Similarity NPD9493 Approved
0.7101 Intermediate Similarity NPD7685 Pre-registration
0.7099 Intermediate Similarity NPD3749 Approved
0.7095 Intermediate Similarity NPD4307 Phase 2
0.7092 Intermediate Similarity NPD3847 Discontinued
0.7091 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD7458 Discontinued
0.7086 Intermediate Similarity NPD2438 Suspended
0.7073 Intermediate Similarity NPD6959 Discontinued
0.707 Intermediate Similarity NPD920 Approved
0.7066 Intermediate Similarity NPD7228 Approved

Structure

External Identifiers

PubChem CID   25136075
ChEMBL   CHEMBL491814
ZINC  

Physicochemical Properties

Molecular Weight:  470.30
ALogP:  2.9935
MLogP:  4.1
XLogP:  6.413
# Rotatable Bonds:  23
Polar Surface Area:  75.99
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
Similar NPs/Drugs