Natural Product: NPC472163

Natural Product ID:  NPC472163
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H29NO3
Standard InCHIKey:  IJGDGRMCHJUXEN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C20H29NO3/c1-5-6-7-8-9-10-11-15-12-13-16(23-3)18-17(15)19(22)20(24-4)14(2)21-18/h12-13H,5-11H2,1-4H3,(H,21,22)
Canonical SMILES:  CCCCCCCCc1ccc(c2c1c(=O)c(c([nH]2)C)OC)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
NPO22669 Waltheria indica Species Malvaceae Eukaryota roots PMID[25314007]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 32 ug/ml 19618898
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 = 31000 nM 22290833
NPT187 Organism Issatchenkia orientalis Pichia kudriavzevii MIC > 32 ug/ml 1294697
NPT188 Organism Candida parapsilosis Candida parapsilosis MIC > 32 ug/ml 14510596
NPT580 Organism Trypanosoma cruzi Trypanosoma cruzi IC50 = 1100 nM 24328302
NPT554 Organism Candida glabrata Candida glabrata MIC > 32 ug/ml 10.6019/CHEMBL1201861
NPT19 Organism Escherichia coli Escherichia coli MIC > 32 ug/ml PubChem BioAssay data set
NPT2 Others Unspecified Ratio IC50 = 22.7 PubChem BioAssay data set
NPT165 Cell Line HeLa Homo sapiens IC50 = 14.4 ug/ml 12105963
NPT2 Others Unspecified MIC > 32 ug/ml 19921834
NPT844 Organism Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 = 38600 nM PubChem BioAssay data set
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 32 ug/ml DrugMatrix in vivo data: Pathology
NPT20 Organism Candida albicans Candida albicans MIC = 8 ug/ml 24044895
NPT186 Organism Candida tropicalis Candida tropicalis MIC > 32 ug/ml DrugMatrix in vitro pharmacology data
NPT20 Organism Candida albicans Candida albicans MIC = 16 ug/ml 18426901
NPT839 Cell Line L6 Rattus norvegicus IC50 = 25700 nM 19687244

  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 NPC472163 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
0.7965 Intermediate Similarity NPC257763
0.7907 Intermediate Similarity NPC93653
0.7833 Intermediate Similarity NPC283810
0.776 Intermediate Similarity NPC49184
0.7747 Intermediate Similarity NPC314659
0.7704 Intermediate Similarity NPC25961
0.7692 Intermediate Similarity NPC197335
0.7644 Intermediate Similarity NPC301163
0.7622 Intermediate Similarity NPC87391
0.7541 Intermediate Similarity NPC85613
0.7437 Intermediate Similarity NPC474366
0.7374 Intermediate Similarity NPC299582
0.7363 Intermediate Similarity NPC73280
0.7358 Intermediate Similarity NPC470021
0.7351 Intermediate Similarity NPC5167
0.7313 Intermediate Similarity NPC218303
0.7291 Intermediate Similarity NPC176113
0.7286 Intermediate Similarity NPC212123
0.7277 Intermediate Similarity NPC1820
0.7241 Intermediate Similarity NPC30749
0.7194 Intermediate Similarity NPC241263
0.7157 Intermediate Similarity NPC268223
0.7143 Intermediate Similarity NPC112937
0.7128 Intermediate Similarity NPC470023
0.7115 Intermediate Similarity NPC225279
0.7114 Intermediate Similarity NPC222561
0.7114 Intermediate Similarity NPC478075
0.7109 Intermediate Similarity NPC285254
0.7108 Intermediate Similarity NPC305542
0.7097 Intermediate Similarity NPC472894
0.7097 Intermediate Similarity NPC8467
0.7092 Intermediate Similarity NPC41488
0.7065 Intermediate Similarity NPC246140
0.7065 Intermediate Similarity NPC195787
0.7048 Intermediate Similarity NPC251071
0.7048 Intermediate Similarity NPC144452
0.7039 Intermediate Similarity NPC148391
0.7037 Intermediate Similarity NPC270301
0.7027 Intermediate Similarity NPC471604
0.7023 Intermediate Similarity NPC49547
0.7019 Intermediate Similarity NPC87560
0.7019 Intermediate Similarity NPC195120
0.7 Intermediate Similarity NPC76478
0.6984 Remote Similarity NPC98416
0.6979 Remote Similarity NPC262725
0.6949 Remote Similarity NPC144691
0.6938 Remote Similarity NPC182853
0.6938 Remote Similarity NPC134702
0.6931 Remote Similarity NPC133156
0.6927 Remote Similarity NPC313886
0.6923 Remote Similarity NPC22476
0.6919 Remote Similarity NPC118189
0.6916 Remote Similarity NPC74575
0.6915 Remote Similarity NPC288759
0.6908 Remote Similarity NPC114468
0.6884 Remote Similarity NPC234933
0.6884 Remote Similarity NPC274640
0.6884 Remote Similarity NPC71124
0.6878 Remote Similarity NPC315631
0.6875 Remote Similarity NPC2905
0.6875 Remote Similarity NPC298449
0.6872 Remote Similarity NPC118154
0.6872 Remote Similarity NPC157983
0.6868 Remote Similarity NPC57512
0.6865 Remote Similarity NPC476569
0.6865 Remote Similarity NPC314861
0.6859 Remote Similarity NPC116096
0.6853 Remote Similarity NPC254957
0.6847 Remote Similarity NPC313112
0.6847 Remote Similarity NPC301292
0.6842 Remote Similarity NPC287152
0.684 Remote Similarity NPC7560
0.6837 Remote Similarity NPC13249
0.682 Remote Similarity NPC474688
0.6802 Remote Similarity NPC114039
0.6802 Remote Similarity NPC206109
0.6789 Remote Similarity NPC4669
0.6786 Remote Similarity NPC208522
0.6784 Remote Similarity NPC170333
0.6784 Remote Similarity NPC173295
0.678 Remote Similarity NPC308943
0.6777 Remote Similarity NPC77777
0.6771 Remote Similarity NPC28368
0.6766 Remote Similarity NPC5374
0.6765 Remote Similarity NPC87714
0.6765 Remote Similarity NPC268077
0.6765 Remote Similarity NPC475147
0.676 Remote Similarity NPC241392
0.6748 Remote Similarity NPC329567
0.6748 Remote Similarity NPC330683
0.6735 Remote Similarity NPC477998
0.6734 Remote Similarity NPC198401
0.6731 Remote Similarity NPC295479
0.6731 Remote Similarity NPC220241
0.6731 Remote Similarity NPC187501
0.672 Remote Similarity NPC153631
0.6716 Remote Similarity NPC138615
0.6716 Remote Similarity NPC218733
0.6716 Remote Similarity NPC23080
0.6716 Remote Similarity NPC132874
0.6716 Remote Similarity NPC193906
0.6716 Remote Similarity NPC207971
0.6716 Remote Similarity NPC17677
0.6716 Remote Similarity NPC265642
0.6716 Remote Similarity NPC100863
0.6713 Remote Similarity NPC470018
0.6705 Remote Similarity NPC43218
0.6703 Remote Similarity NPC476580
0.67 Remote Similarity NPC214368
0.6699 Remote Similarity NPC198160
0.6697 Remote Similarity NPC154922
0.6684 Remote Similarity NPC121400
0.6684 Remote Similarity NPC127362
0.6684 Remote Similarity NPC471652
0.6683 Remote Similarity NPC78284
0.6682 Remote Similarity NPC257851
0.6667 Remote Similarity NPC39500
0.6667 Remote Similarity NPC288987
0.6667 Remote Similarity NPC470019
0.6667 Remote Similarity NPC1464
0.6667 Remote Similarity NPC100573
0.6667 Remote Similarity NPC207873
0.6667 Remote Similarity NPC474815
0.6667 Remote Similarity NPC471316
0.6667 Remote Similarity NPC314702
0.6667 Remote Similarity NPC316282
0.6667 Remote Similarity NPC15987
0.6667 Remote Similarity NPC122886
0.6667 Remote Similarity NPC90185
0.6667 Remote Similarity NPC208084
0.6649 Remote Similarity NPC231862
0.6646 Remote Similarity NPC179605
0.6646 Remote Similarity NPC279385
0.6638 Remote Similarity NPC67401
0.6635 Remote Similarity NPC475133
0.6634 Remote Similarity NPC41216
0.6628 Remote Similarity NPC266425
0.662 Remote Similarity NPC51388
0.6619 Remote Similarity NPC470482
0.6619 Remote Similarity NPC470481
0.6617 Remote Similarity NPC108847
0.6616 Remote Similarity NPC45389
0.6616 Remote Similarity NPC474059
0.6616 Remote Similarity NPC5630
0.6611 Remote Similarity NPC242000
0.6607 Remote Similarity NPC41501
0.6606 Remote Similarity NPC103292
0.6601 Remote Similarity NPC317727
0.6598 Remote Similarity NPC190461
0.6592 Remote Similarity NPC472061
0.6589 Remote Similarity NPC222046
0.6587 Remote Similarity NPC217277
0.6584 Remote Similarity NPC314948
0.6579 Remote Similarity NPC469671
0.6579 Remote Similarity NPC126676
0.6578 Remote Similarity NPC148889
0.6578 Remote Similarity NPC475844
0.6573 Remote Similarity NPC195636
0.657 Remote Similarity NPC477161
0.6567 Remote Similarity NPC243626
0.6567 Remote Similarity NPC198205
0.6567 Remote Similarity NPC230313
0.6567 Remote Similarity NPC21483
0.6561 Remote Similarity NPC306669
0.6557 Remote Similarity NPC119669
0.6557 Remote Similarity NPC476579
0.6557 Remote Similarity NPC55470
0.6555 Remote Similarity NPC477160
0.655 Remote Similarity NPC270515
0.655 Remote Similarity NPC196231
0.6549 Remote Similarity NPC113455
0.6546 Remote Similarity NPC70092
0.6542 Remote Similarity NPC184408
0.654 Remote Similarity NPC116178
0.654 Remote Similarity NPC474428
0.654 Remote Similarity NPC38237
0.654 Remote Similarity NPC119722
0.6537 Remote Similarity NPC471489
0.6534 Remote Similarity NPC314252
0.6529 Remote Similarity NPC122235
0.6528 Remote Similarity NPC280799
0.6528 Remote Similarity NPC285941
0.6528 Remote Similarity NPC9475
0.6524 Remote Similarity NPC57105
0.6522 Remote Similarity NPC58661
0.6518 Remote Similarity NPC470022
0.6515 Remote Similarity NPC21425
0.6514 Remote Similarity NPC231924
0.6509 Remote Similarity NPC217903
0.6509 Remote Similarity NPC321166
0.6509 Remote Similarity NPC324361
0.6502 Remote Similarity NPC478049
0.6502 Remote Similarity NPC198390
0.65 Remote Similarity NPC203628
0.65 Remote Similarity NPC472840
0.6495 Remote Similarity NPC293151
0.6492 Remote Similarity NPC284842
0.6488 Remote Similarity NPC226794
0.6486 Remote Similarity NPC139373
0.6481 Remote Similarity NPC476069

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472163 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 NPD5896 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD2247 Approved
0.7486 Intermediate Similarity NPD2249 Approved
0.7459 Intermediate Similarity NPD3253 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD7858 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD5433 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD4859 Phase 1
0.731 Intermediate Similarity NPD7597 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD5186 Approved
0.7253 Intermediate Similarity NPD5183 Approved
0.7181 Intermediate Similarity NPD1891 Discontinued
0.7166 Intermediate Similarity NPD6293 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD1945 Phase 1
0.7104 Intermediate Similarity NPD2680 Approved
0.7104 Intermediate Similarity NPD2681 Approved
0.7097 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD4082 Approved
0.7079 Intermediate Similarity NPD3472 Approved
0.7079 Intermediate Similarity NPD4022 Approved
0.7069 Intermediate Similarity NPD1305 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD4493 Discontinued
0.7045 Intermediate Similarity NPD9509 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD2672 Discontinued
0.7035 Intermediate Similarity NPD6238 Discontinued
0.7031 Intermediate Similarity NPD4515 Suspended
0.703 Intermediate Similarity NPD4596 Phase 1
0.7015 Intermediate Similarity NPD4456 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD3372 Discontinued
0.701 Intermediate Similarity NPD3893 Discontinued
0.7 Intermediate Similarity NPD1769 Discontinued
0.6986 Remote Similarity NPD2899 Discontinued
0.697 Remote Similarity NPD5071 Phase 2
0.6959 Remote Similarity NPD1626 Approved
0.6942 Remote Similarity NPD4494 Approved
0.6942 Remote Similarity NPD4492 Approved
0.6938 Remote Similarity NPD4429 Discontinued
0.6927 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6927 Remote Similarity NPD5860 Discontinued
0.6908 Remote Similarity NPD4455 Discontinued
0.6865 Remote Similarity NPD1559 Discontinued
0.686 Remote Similarity NPD3888 Discontinued
0.6859 Remote Similarity NPD6104 Discontinued
0.6835 Remote Similarity NPD6625 Approved
0.6834 Remote Similarity NPD5515 Phase 2
0.6829 Remote Similarity NPD2514 Approved
0.6828 Remote Similarity NPD2821 Approved
0.6806 Remote Similarity NPD6211 Clinical (unspecified phase)
0.68 Remote Similarity NPD1625 Approved
0.68 Remote Similarity NPD5197 Approved
0.68 Remote Similarity NPD5194 Approved
0.68 Remote Similarity NPD5196 Approved
0.6784 Remote Similarity NPD3964 Approved
0.678 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6762 Remote Similarity NPD7475 Clinical (unspecified phase)
0.6762 Remote Similarity NPD8149 Discontinued
0.6757 Remote Similarity NPD1307 Phase 2
0.6757 Remote Similarity NPD1309 Phase 2
0.6755 Remote Similarity NPD5242 Approved
0.6748 Remote Similarity NPD2906 Approved
0.6748 Remote Similarity NPD2907 Approved
0.6748 Remote Similarity NPD6593 Clinical (unspecified phase)
0.6739 Remote Similarity NPD3558 Approved
0.6739 Remote Similarity NPD5977 Approved
0.6739 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6739 Remote Similarity NPD3560 Approved
0.6739 Remote Similarity NPD3556 Approved
0.6739 Remote Similarity NPD3557 Approved
0.6739 Remote Similarity NPD5978 Approved
0.6738 Remote Similarity NPD6457 Approved
0.673 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6723 Remote Similarity NPD3301 Approved
0.672 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6719 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6714 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6703 Remote Similarity NPD3684 Discontinued
0.6701 Remote Similarity NPD7546 Discontinued
0.6699 Remote Similarity NPD7225 Discontinued
0.6698 Remote Similarity NPD7278 Phase 2
0.6698 Remote Similarity NPD7279 Phase 2
0.6684 Remote Similarity NPD6793 Clinical (unspecified phase)
0.6683 Remote Similarity NPD4467 Phase 2
0.6683 Remote Similarity NPD3297 Approved
0.6683 Remote Similarity NPD6644 Discontinued
0.6683 Remote Similarity NPD4465 Phase 2
0.6667 Remote Similarity NPD5950 Discontinued
0.6667 Remote Similarity NPD4083 Discontinued
0.6667 Remote Similarity NPD4586 Phase 3
0.6667 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6651 Remote Similarity NPD2285 Clinical (unspecified phase)
0.665 Remote Similarity NPD7256 Discontinued
0.6649 Remote Similarity NPD1012 Discontinued
0.6648 Remote Similarity NPD2649 Approved
0.6648 Remote Similarity NPD2651 Approved
0.6634 Remote Similarity NPD4668 Phase 2
0.663 Remote Similarity NPD3641 Approved
0.663 Remote Similarity NPD3639 Approved
0.663 Remote Similarity NPD3640 Phase 3
0.6622 Remote Similarity NPD3006 Discontinued
0.6621 Remote Similarity NPD5022 Discontinued
0.6618 Remote Similarity NPD6321 Discontinued
0.6616 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6611 Remote Similarity NPD4888 Discontinued
0.6602 Remote Similarity NPD3298 Approved
0.6601 Remote Similarity NPD5608 Approved
0.6601 Remote Similarity NPD5609 Approved
0.6599 Remote Similarity NPD4587 Phase 3
0.6599 Remote Similarity NPD4084 Clinical (unspecified phase)
0.6597 Remote Similarity NPD7324 Discontinued
0.6595 Remote Similarity NPD2842 Clinical (unspecified phase)
0.659 Remote Similarity NPD4505 Phase 1
0.6585 Remote Similarity NPD956 Clinical (unspecified phase)
0.6584 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6584 Remote Similarity NPD5195 Discontinued
0.658 Remote Similarity NPD7479 Phase 2
0.6576 Remote Similarity NPD2836 Approved
0.6573 Remote Similarity NPD6719 Approved
0.6569 Remote Similarity NPD3290 Approved
0.6569 Remote Similarity NPD3289 Phase 3
0.6566 Remote Similarity NPD1898 Discontinued
0.655 Remote Similarity NPD5937 Approved
0.6548 Remote Similarity NPD3153 Approved
0.6548 Remote Similarity NPD3154 Approved
0.6546 Remote Similarity NPD6496 Clinical (unspecified phase)
0.6545 Remote Similarity NPD6199 Discontinued
0.6538 Remote Similarity NPD2434 Approved
0.6537 Remote Similarity NPD7476 Discontinued
0.6532 Remote Similarity NPD7922 Phase 1
0.653 Remote Similarity NPD3899 Clinical (unspecified phase)
0.6528 Remote Similarity NPD5810 Discontinued
0.6528 Remote Similarity NPD5334 Clinical (unspecified phase)
0.652 Remote Similarity NPD6874 Approved
0.6508 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6505 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6503 Remote Similarity NPD814 Clinical (unspecified phase)
0.6502 Remote Similarity NPD6621 Clinical (unspecified phase)
0.65 Remote Similarity NPD6652 Clinical (unspecified phase)
0.6495 Remote Similarity NPD3949 Clinical (unspecified phase)
0.6493 Remote Similarity NPD5416 Discontinued
0.6488 Remote Similarity NPD6519 Phase 2
0.6486 Remote Similarity NPD6386 Approved
0.6486 Remote Similarity NPD6385 Approved
0.6461 Remote Similarity NPD4597 Approved
0.6461 Remote Similarity NPD4598 Approved
0.6458 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6456 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6456 Remote Similarity NPD3416 Discontinued
0.6453 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6452 Remote Similarity NPD3812 Clinical (unspecified phase)
0.645 Remote Similarity NPD4259 Approved
0.645 Remote Similarity NPD4258 Approved
0.6443 Remote Similarity NPD5521 Clinical (unspecified phase)
0.644 Remote Similarity NPD5847 Phase 1
0.6439 Remote Similarity NPD1880 Phase 3
0.6437 Remote Similarity NPD3142 Approved
0.6437 Remote Similarity NPD3140 Approved
0.6436 Remote Similarity NPD5610 Approved
0.6432 Remote Similarity NPD3538 Suspended
0.6429 Remote Similarity NPD7302 Phase 3
0.6429 Remote Similarity NPD7300 Phase 3
0.6425 Remote Similarity NPD7316 Discontinued
0.6425 Remote Similarity NPD5938 Phase 3
0.6425 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6425 Remote Similarity NPD7626 Approved
0.6425 Remote Similarity NPD7627 Approved
0.6425 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6422 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6422 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6421 Remote Similarity NPD6037 Discontinued
0.6417 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6415 Remote Similarity NPD4502 Phase 2
0.6415 Remote Similarity NPD7272 Discontinued
0.6414 Remote Similarity NPD6618 Phase 2
0.641 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6408 Remote Similarity NPD2339 Phase 3
0.6406 Remote Similarity NPD3437 Discontinued
0.6406 Remote Similarity NPD6242 Discontinued
0.6398 Remote Similarity NPD4205 Phase 3
0.6398 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6396 Remote Similarity NPD4981 Phase 2
0.6394 Remote Similarity NPD3802 Phase 3
0.639 Remote Similarity NPD4420 Approved
0.6386 Remote Similarity NPD3479 Discontinued
0.6384 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5429 Discontinued
0.6381 Remote Similarity NPD7263 Phase 2
0.6378 Remote Similarity NPD5086 Approved
0.6374 Remote Similarity NPD1801 Approved
0.6374 Remote Similarity NPD1802 Approved
0.6373 Remote Similarity NPD2248 Approved
0.6373 Remote Similarity NPD2246 Approved
0.6373 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6372 Remote Similarity NPD5025 Approved
0.6369 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6369 Remote Similarity NPD1189 Approved
0.6368 Remote Similarity NPD4997 Clinical (unspecified phase)
0.6368 Remote Similarity NPD8067 Phase 3
0.6364 Remote Similarity NPD3925 Approved
0.6364 Remote Similarity NPD5895 Clinical (unspecified phase)
0.6359 Remote Similarity NPD6030 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3342750
ZINC  

Physicochemical Properties

Molecular Weight:  331.21
ALogP:  -2.3884
MLogP:  3.22
XLogP:  6.176
# Rotatable Bonds:  13
Polar Surface Area:  47.56
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  24

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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