Natural Product: NPC203925

Natural Product ID:  NPC203925
Common Name:   Dimethyl Benzene-1,4-Dicarboxylate
IUPAC Name:   dimethyl benzene-1,4-dicarboxylate
Synonyms:  
Molecular Formula:   C10H10O4
Standard InCHIKey:  WOZVHXUHUFLZGK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
Canonical SMILES:  COC(=O)c1ccc(cc1)C(=O)OC
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
NPO5226 Acrostalagmus cinnabarinus Species Plectosphaerellaceae Eukaryota UNPD*
NPO3818 Parkinsonia aculeata Species Fabaceae Eukaryota UNPD*
NPO3607 Derris obtusa Species Fabaceae Eukaryota UNPD*
NPO2072 Fomes juniperinus Species Coriolaceae Eukaryota UNPD*
NPO1104 Selinum carvifolia Species Apiaceae Eukaryota UNPD*
NPO15603 Aspergillus petrakii Species Aspergillaceae Eukaryota UNPD*
NPO1667 Cylindropuntia echinocarpus Species Cactaceae Eukaryota UNPD*
NPO1740 Gomphrena celosioides Species Amaranthaceae Eukaryota UNPD*
NPO6212 Myrrha Species Coccinellidae Eukaryota TCMSP*
NPO9462 Ligustici rhizoma et radix NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT46 Individual Protein Thyroid hormone receptor beta-1 Homo sapiens Potency 2511.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 197.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 77977.4 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 70794.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 2487.5 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 19758.8 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 24874.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 61644.8 nM PubChem BioAssay data set
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 7866.1 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 15695 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12467 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3131.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 3104.3 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 13866.6 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 17457 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 1958.7 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 NPC203925 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
0.9681 High Similarity NPC70624
0.9579 High Similarity NPC188895
0.9565 High Similarity NPC130398
0.9362 High Similarity NPC276775
0.9362 High Similarity NPC249912
0.9362 High Similarity NPC92754
0.9263 High Similarity NPC78701
0.9263 High Similarity NPC225060
0.9263 High Similarity NPC35448
0.9167 High Similarity NPC146351
0.9082 High Similarity NPC474365
0.9082 High Similarity NPC301943
0.899 High Similarity NPC31786
0.8969 High Similarity NPC118343
0.8969 High Similarity NPC325497
0.8958 High Similarity NPC253423
0.8878 High Similarity NPC42211
0.8854 High Similarity NPC61944
0.8812 High Similarity NPC119271
0.8776 High Similarity NPC217621
0.8725 High Similarity NPC56493
0.8713 High Similarity NPC269457
0.8696 High Similarity NPC318107
0.8646 High Similarity NPC261181
0.8641 High Similarity NPC469636
0.8641 High Similarity NPC474364
0.8641 High Similarity NPC10251
0.8641 High Similarity NPC85493
0.8641 High Similarity NPC17417
0.8617 High Similarity NPC173443
0.86 High Similarity NPC25458
0.86 High Similarity NPC304873
0.8558 High Similarity NPC251854
0.8558 High Similarity NPC174099
0.8558 High Similarity NPC93084
0.8558 High Similarity NPC196246
0.8558 High Similarity NPC214067
0.8529 High Similarity NPC209632
0.8515 High Similarity NPC89886
0.8515 High Similarity NPC60679
0.8491 Intermediate Similarity NPC128368
0.8476 Intermediate Similarity NPC260818
0.8476 Intermediate Similarity NPC305912
0.8476 Intermediate Similarity NPC1082
0.8462 Intermediate Similarity NPC265407
0.8462 Intermediate Similarity NPC83628
0.8447 Intermediate Similarity NPC37622
0.8447 Intermediate Similarity NPC30594
0.8431 Intermediate Similarity NPC114594
0.8416 Intermediate Similarity NPC45613
0.8411 Intermediate Similarity NPC307651
0.8404 Intermediate Similarity NPC89377
0.8396 Intermediate Similarity NPC82899
0.8396 Intermediate Similarity NPC321852
0.8396 Intermediate Similarity NPC270699
0.835 Intermediate Similarity NPC105899
0.8333 Intermediate Similarity NPC62765
0.8318 Intermediate Similarity NPC161611
0.8302 Intermediate Similarity NPC476003
0.8302 Intermediate Similarity NPC474157
0.8302 Intermediate Similarity NPC210089
0.83 Intermediate Similarity NPC229242
0.8286 Intermediate Similarity NPC269023
0.8286 Intermediate Similarity NPC99846
0.8257 Intermediate Similarity NPC149691
0.8241 Intermediate Similarity NPC153053
0.8241 Intermediate Similarity NPC474363
0.8229 Intermediate Similarity NPC220893
0.8224 Intermediate Similarity NPC474314
0.8191 Intermediate Similarity NPC58616
0.819 Intermediate Similarity NPC249811
0.8172 Intermediate Similarity NPC288903
0.8165 Intermediate Similarity NPC210092
0.8165 Intermediate Similarity NPC81808
0.8148 Intermediate Similarity NPC474176
0.8148 Intermediate Similarity NPC272524
0.8131 Intermediate Similarity NPC167504
0.8073 Intermediate Similarity NPC308744
0.8065 Intermediate Similarity NPC106313
0.8061 Intermediate Similarity NPC119631
0.8058 Intermediate Similarity NPC284477
0.8056 Intermediate Similarity NPC158282
0.8056 Intermediate Similarity NPC79496
0.8039 Intermediate Similarity NPC228435
0.802 Intermediate Similarity NPC270654
0.8 Intermediate Similarity NPC474685
0.8 Intermediate Similarity NPC294134
0.8 Intermediate Similarity NPC472703
0.7981 Intermediate Similarity NPC255676
0.7961 Intermediate Similarity NPC282895
0.7961 Intermediate Similarity NPC473325
0.7946 Intermediate Similarity NPC228318
0.7946 Intermediate Similarity NPC240664
0.7944 Intermediate Similarity NPC318327
0.7938 Intermediate Similarity NPC304760
0.7931 Intermediate Similarity NPC472704
0.7928 Intermediate Similarity NPC220540
0.7928 Intermediate Similarity NPC188907
0.7895 Intermediate Similarity NPC473243
0.789 Intermediate Similarity NPC66208
0.7857 Intermediate Similarity NPC128825
0.7857 Intermediate Similarity NPC131192
0.7838 Intermediate Similarity NPC474095
0.7838 Intermediate Similarity NPC306740
0.7826 Intermediate Similarity NPC50872
0.7818 Intermediate Similarity NPC13784
0.781 Intermediate Similarity NPC234305
0.7798 Intermediate Similarity NPC243355
0.7788 Intermediate Similarity NPC217423
0.7788 Intermediate Similarity NPC469574
0.7788 Intermediate Similarity NPC45104
0.7768 Intermediate Similarity NPC100353
0.7768 Intermediate Similarity NPC135730
0.7757 Intermediate Similarity NPC1065
0.7748 Intermediate Similarity NPC196075
0.7748 Intermediate Similarity NPC237366
0.7748 Intermediate Similarity NPC477411
0.7739 Intermediate Similarity NPC230951
0.7736 Intermediate Similarity NPC85977
0.7731 Intermediate Similarity NPC472706
0.7727 Intermediate Similarity NPC212415
0.7727 Intermediate Similarity NPC54626
0.7727 Intermediate Similarity NPC23332
0.7719 Intermediate Similarity NPC94298
0.7719 Intermediate Similarity NPC27633
0.7719 Intermediate Similarity NPC171023
0.7719 Intermediate Similarity NPC94637
0.7717 Intermediate Similarity NPC3672
0.7717 Intermediate Similarity NPC287790
0.77 Intermediate Similarity NPC110704
0.7679 Intermediate Similarity NPC186933
0.7679 Intermediate Similarity NPC228936
0.7667 Intermediate Similarity NPC472707
0.7652 Intermediate Similarity NPC61779
0.7652 Intermediate Similarity NPC90522
0.7652 Intermediate Similarity NPC472708
0.7652 Intermediate Similarity NPC328459
0.7636 Intermediate Similarity NPC183648
0.7627 Intermediate Similarity NPC228739
0.7615 Intermediate Similarity NPC281604
0.7611 Intermediate Similarity NPC226093
0.7604 Intermediate Similarity NPC285773
0.76 Intermediate Similarity NPC240108
0.76 Intermediate Similarity NPC274455
0.76 Intermediate Similarity NPC213156
0.76 Intermediate Similarity NPC70940
0.76 Intermediate Similarity NPC86670
0.7589 Intermediate Similarity NPC53953
0.7586 Intermediate Similarity NPC72977
0.7579 Intermediate Similarity NPC100039
0.7576 Intermediate Similarity NPC329064
0.757 Intermediate Similarity NPC269644
0.7568 Intermediate Similarity NPC57879
0.7563 Intermediate Similarity NPC125053
0.7563 Intermediate Similarity NPC295664
0.7563 Intermediate Similarity NPC246166
0.7553 Intermediate Similarity NPC167577
0.7553 Intermediate Similarity NPC78517
0.7545 Intermediate Similarity NPC234639
0.7544 Intermediate Similarity NPC158157
0.7544 Intermediate Similarity NPC470860
0.7542 Intermediate Similarity NPC223351
0.7524 Intermediate Similarity NPC98911
0.7524 Intermediate Similarity NPC472318
0.7523 Intermediate Similarity NPC470391
0.7522 Intermediate Similarity NPC476357
0.7522 Intermediate Similarity NPC221275
0.7521 Intermediate Similarity NPC144547
0.75 Intermediate Similarity NPC9822
0.75 Intermediate Similarity NPC323103
0.75 Intermediate Similarity NPC275576
0.75 Intermediate Similarity NPC204784
0.75 Intermediate Similarity NPC470765
0.75 Intermediate Similarity NPC476599
0.75 Intermediate Similarity NPC17693
0.7479 Intermediate Similarity NPC85511
0.7478 Intermediate Similarity NPC160199
0.7477 Intermediate Similarity NPC160382
0.7477 Intermediate Similarity NPC474057
0.7477 Intermediate Similarity NPC291426
0.7477 Intermediate Similarity NPC329556
0.7476 Intermediate Similarity NPC5472
0.7475 Intermediate Similarity NPC96625
0.7475 Intermediate Similarity NPC322387
0.7474 Intermediate Similarity NPC121800
0.7458 Intermediate Similarity NPC26285
0.7451 Intermediate Similarity NPC77273
0.7447 Intermediate Similarity NPC176228
0.7438 Intermediate Similarity NPC51292
0.7438 Intermediate Similarity NPC473220
0.7438 Intermediate Similarity NPC470753
0.7438 Intermediate Similarity NPC154275
0.7438 Intermediate Similarity NPC169913
0.7436 Intermediate Similarity NPC233282
0.7436 Intermediate Similarity NPC232958
0.7436 Intermediate Similarity NPC289432
0.7436 Intermediate Similarity NPC988
0.7434 Intermediate Similarity NPC109241
0.7431 Intermediate Similarity NPC474376
0.7431 Intermediate Similarity NPC472315

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC203925 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
0.899 High Similarity NPD164 Approved
0.8969 High Similarity NPD1238 Approved
0.8696 High Similarity NPD9257 Approved
0.8696 High Similarity NPD9259 Approved
0.8646 High Similarity NPD1202 Approved
0.8641 High Similarity NPD2182 Approved
0.8333 Intermediate Similarity NPD9256 Approved
0.8333 Intermediate Similarity NPD9258 Approved
0.8302 Intermediate Similarity NPD2181 Clinical (unspecified phase)
0.807 Intermediate Similarity NPD6287 Discontinued
0.8 Intermediate Similarity NPD9260 Approved
0.7857 Intermediate Similarity NPD9493 Approved
0.7835 Intermediate Similarity NPD1087 Approved
0.7778 Intermediate Similarity NPD6831 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD9490 Approved
0.7727 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD9508 Approved
0.7719 Intermediate Similarity NPD9545 Approved
0.7679 Intermediate Similarity NPD690 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD5951 Approved
0.7677 Intermediate Similarity NPD800 Approved
0.7634 Intermediate Similarity NPD225 Approved
0.7634 Intermediate Similarity NPD227 Approved
0.7604 Intermediate Similarity NPD9491 Approved
0.76 Intermediate Similarity NPD1086 Approved
0.76 Intermediate Similarity NPD1089 Approved
0.76 Intermediate Similarity NPD1090 Approved
0.7573 Intermediate Similarity NPD1989 Approved
0.7541 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7524 Intermediate Similarity NPD2066 Phase 3
0.7477 Intermediate Similarity NPD1929 Approved
0.7477 Intermediate Similarity NPD1930 Approved
0.7477 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.7477 Intermediate Similarity NPD9261 Approved
0.7458 Intermediate Similarity NPD518 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD1088 Approved
0.7429 Intermediate Similarity NPD9495 Approved
0.7407 Intermediate Similarity NPD1237 Approved
0.7398 Intermediate Similarity NPD7008 Discontinued
0.7396 Intermediate Similarity NPD226 Approved
0.7395 Intermediate Similarity NPD9717 Approved
0.7387 Intermediate Similarity NPD2067 Discontinued
0.7383 Intermediate Similarity NPD1932 Approved
0.7379 Intermediate Similarity NPD1563 Approved
0.7353 Intermediate Similarity NPD1239 Approved
0.7345 Intermediate Similarity NPD5277 Phase 2
0.7308 Intermediate Similarity NPD1693 Approved
0.7295 Intermediate Similarity NPD1019 Discontinued
0.7288 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD1362 Clinical (unspecified phase)
0.7281 Intermediate Similarity NPD1241 Discontinued
0.7273 Intermediate Similarity NPD2199 Approved
0.7273 Intermediate Similarity NPD2198 Approved
0.725 Intermediate Similarity NPD3972 Approved
0.7232 Intermediate Similarity NPD1317 Discontinued
0.7227 Intermediate Similarity NPD1889 Phase 1
0.7222 Intermediate Similarity NPD4307 Phase 2
0.7213 Intermediate Similarity NPD552 Approved
0.7213 Intermediate Similarity NPD9567 Approved
0.7213 Intermediate Similarity NPD553 Approved
0.7207 Intermediate Similarity NPD1358 Approved
0.7207 Intermediate Similarity NPD9264 Approved
0.7207 Intermediate Similarity NPD9267 Approved
0.7207 Intermediate Similarity NPD9263 Approved
0.7207 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD411 Approved
0.719 Intermediate Similarity NPD182 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD6832 Phase 2
0.717 Intermediate Similarity NPD1566 Phase 3
0.717 Intermediate Similarity NPD1565 Approved
0.717 Intermediate Similarity NPD1564 Approved
0.7167 Intermediate Similarity NPD1281 Approved
0.7143 Intermediate Similarity NPD9266 Approved
0.7143 Intermediate Similarity NPD74 Approved
0.7143 Intermediate Similarity NPD2329 Discontinued
0.7129 Intermediate Similarity NPD1282 Approved
0.7117 Intermediate Similarity NPD3134 Approved
0.7109 Intermediate Similarity NPD3528 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD5909 Discontinued
0.7087 Intermediate Similarity NPD3673 Approved
0.7087 Intermediate Similarity NPD3672 Approved
0.7073 Intermediate Similarity NPD1203 Approved
0.7048 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD2347 Approved
0.7031 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD4198 Discontinued
0.7 Intermediate Similarity NPD6647 Phase 2
0.7 Intermediate Similarity NPD1104 Approved
0.7 Intermediate Similarity NPD4308 Phase 3
0.6992 Remote Similarity NPD1876 Approved
0.6992 Remote Similarity NPD1283 Approved
0.6992 Remote Similarity NPD1888 Phase 1
0.6981 Remote Similarity NPD688 Clinical (unspecified phase)
0.6961 Remote Similarity NPD650 Approved
0.6947 Remote Similarity NPD1551 Phase 2
0.6947 Remote Similarity NPD9716 Approved
0.6929 Remote Similarity NPD2313 Discontinued
0.6929 Remote Similarity NPD3764 Approved
0.6923 Remote Similarity NPD2629 Approved
0.6923 Remote Similarity NPD9281 Approved
0.6899 Remote Similarity NPD230 Phase 1
0.6899 Remote Similarity NPD1933 Approved
0.6899 Remote Similarity NPD447 Suspended
0.6894 Remote Similarity NPD2346 Discontinued
0.6894 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6885 Remote Similarity NPD1547 Clinical (unspecified phase)
0.688 Remote Similarity NPD2798 Approved
0.6875 Remote Similarity NPD9697 Approved
0.687 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6869 Remote Similarity NPD942 Approved
0.6866 Remote Similarity NPD4628 Phase 3
0.686 Remote Similarity NPD1778 Approved
0.686 Remote Similarity NPD17 Approved
0.6827 Remote Similarity NPD5347 Phase 2
0.6827 Remote Similarity NPD5346 Phase 2
0.6822 Remote Similarity NPD3373 Approved
0.6818 Remote Similarity NPD2935 Discontinued
0.681 Remote Similarity NPD969 Suspended
0.6803 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6797 Remote Similarity NPD9471 Clinical (unspecified phase)
0.6796 Remote Similarity NPD4793 Discontinued
0.6794 Remote Similarity NPD2569 Approved
0.6794 Remote Similarity NPD2567 Approved
0.6789 Remote Similarity NPD5926 Approved
0.6777 Remote Similarity NPD5691 Approved
0.6777 Remote Similarity NPD1651 Approved
0.6746 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6744 Remote Similarity NPD7713 Phase 3
0.6742 Remote Similarity NPD2799 Discontinued
0.6741 Remote Similarity NPD7003 Approved
0.6727 Remote Similarity NPD7798 Approved
0.6721 Remote Similarity NPD4626 Approved
0.6719 Remote Similarity NPD6966 Discovery
0.6698 Remote Similarity NPD7609 Phase 3
0.6694 Remote Similarity NPD1608 Approved
0.6694 Remote Similarity NPD1894 Discontinued
0.6693 Remote Similarity NPD9494 Approved
0.6692 Remote Similarity NPD2979 Phase 3
0.6667 Remote Similarity NPD3266 Approved
0.6667 Remote Similarity NPD3267 Approved
0.6667 Remote Similarity NPD2670 Approved
0.6667 Remote Similarity NPD689 Discontinued
0.6642 Remote Similarity NPD7236 Approved
0.6642 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6639 Remote Similarity NPD1245 Approved
0.6639 Remote Similarity NPD5585 Approved
0.6639 Remote Similarity NPD1246 Approved
0.6638 Remote Similarity NPD5235 Approved
0.6638 Remote Similarity NPD5236 Approved
0.6638 Remote Similarity NPD5240 Approved
0.6638 Remote Similarity NPD5239 Approved
0.6638 Remote Similarity NPD5237 Approved
0.6636 Remote Similarity NPD7631 Approved
0.6635 Remote Similarity NPD506 Clinical (unspecified phase)
0.6633 Remote Similarity NPD9294 Approved
0.6618 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6617 Remote Similarity NPD3748 Approved
0.6617 Remote Similarity NPD3170 Approved
0.6617 Remote Similarity NPD1110 Approved
0.6617 Remote Similarity NPD1109 Approved
0.6614 Remote Similarity NPD6085 Phase 2
0.6614 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6612 Remote Similarity NPD5536 Phase 2
0.661 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6591 Remote Similarity NPD1607 Approved
0.6591 Remote Similarity NPD1654 Clinical (unspecified phase)
0.6589 Remote Similarity NPD6039 Approved
0.6587 Remote Similarity NPD5667 Approved
0.6581 Remote Similarity NPD2201 Approved
0.656 Remote Similarity NPD1481 Phase 2
0.656 Remote Similarity NPD6637 Approved
0.6545 Remote Similarity NPD3495 Discontinued
0.6544 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6535 Remote Similarity NPD2797 Approved
0.6535 Remote Similarity NPD1164 Approved
0.6532 Remote Similarity NPD3496 Discontinued
0.6532 Remote Similarity NPD3847 Discontinued
0.6529 Remote Similarity NPD694 Clinical (unspecified phase)
0.6529 Remote Similarity NPD405 Clinical (unspecified phase)
0.6525 Remote Similarity NPD7239 Suspended
0.6519 Remote Similarity NPD2353 Approved
0.6519 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6504 Remote Similarity NPD9268 Approved
0.6496 Remote Similarity NPD4233 Approved
0.6496 Remote Similarity NPD1752 Approved
0.6496 Remote Similarity NPD1756 Approved
0.6496 Remote Similarity NPD4234 Approved
0.6489 Remote Similarity NPD520 Approved
0.648 Remote Similarity NPD1535 Discovery
0.6479 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6479 Remote Similarity NPD7458 Discontinued
0.6471 Remote Similarity NPD970 Clinical (unspecified phase)
0.6471 Remote Similarity NPD5535 Approved
0.6471 Remote Similarity NPD6858 Approved
0.6471 Remote Similarity NPD7094 Approved
0.6471 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6452 Remote Similarity NPD9272 Approved
0.6452 Remote Similarity NPD5305 Approved
0.6452 Remote Similarity NPD2345 Approved

Structure

External Identifiers

PubChem CID   8441
ChEMBL   CHEMBL1870757
ZINC  

Physicochemical Properties

Molecular Weight:  194.06
ALogP:  0.0224
MLogP:  2.12
XLogP:  1.912
# Rotatable Bonds:  6
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  14

Download Data

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