Natural Product: NPC267928

Natural Product ID:  NPC267928
Common Name:   Picrasidine D
IUPAC Name:   1-ethenyl-4,9-dimethoxypyrido[3,4-b]indole
Synonyms:  
Molecular Formula:   C15H14N2O2
Standard InCHIKey:  IOKBUNVDGRBBPU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H14N2O2/c1-4-11-15-14(13(18-2)9-16-11)10-7-5-6-8-12(10)17(15)19-3/h4-9H,1H2,2-3H3
Canonical SMILES:  COc1cnc(c2c1c1ccccc1n2OC)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
NPO25272 Celastrus angulatus Species Celastraceae Eukaryota TCM_Taiwan*
NPO8372 Picrasma quassioides Species Simaroubaceae Eukaryota TCM_Taiwan*
NPO20120 Asari radix et rhizoma NA NA NA TCMSP*
NPO6336 Asarum sieboldii Species Aristolochiaceae Eukaryota TCMID*
NPO12468.1 Asarum heterotropoides var. mandshuricum Varieties Aristolochiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = 33.5 % 25819098

  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 NPC267928 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
0.9392 High Similarity NPC19872
0.9144 High Similarity NPC287208
0.893 High Similarity NPC245816
0.893 High Similarity NPC476138
0.8895 High Similarity NPC185782
0.8756 High Similarity NPC26679
0.8674 High Similarity NPC20249
0.8624 High Similarity NPC232727
0.8622 High Similarity NPC8022
0.8622 High Similarity NPC470799
0.858 High Similarity NPC476518
0.8571 High Similarity NPC176538
0.8531 High Similarity NPC121658
0.8531 High Similarity NPC14651
0.852 High Similarity NPC476287
0.8508 High Similarity NPC266551
0.8505 High Similarity NPC174672
0.8449 Intermediate Similarity NPC198673
0.8447 Intermediate Similarity NPC141053
0.8415 Intermediate Similarity NPC284678
0.841 Intermediate Similarity NPC174758
0.84 Intermediate Similarity NPC177404
0.8359 Intermediate Similarity NPC82548
0.8342 Intermediate Similarity NPC475774
0.8342 Intermediate Similarity NPC274982
0.8341 Intermediate Similarity NPC314954
0.8306 Intermediate Similarity NPC161887
0.8306 Intermediate Similarity NPC219963
0.8274 Intermediate Similarity NPC167860
0.8274 Intermediate Similarity NPC123976
0.8272 Intermediate Similarity NPC168911
0.8272 Intermediate Similarity NPC239954
0.8221 Intermediate Similarity NPC101543
0.8221 Intermediate Similarity NPC469554
0.8218 Intermediate Similarity NPC292958
0.8177 Intermediate Similarity NPC111624
0.8158 Intermediate Similarity NPC84853
0.8158 Intermediate Similarity NPC226202
0.8135 Intermediate Similarity NPC476167
0.8128 Intermediate Similarity NPC193267
0.8128 Intermediate Similarity NPC213530
0.8083 Intermediate Similarity NPC192315
0.8057 Intermediate Similarity NPC26872
0.8049 Intermediate Similarity NPC310118
0.8049 Intermediate Similarity NPC60621
0.8045 Intermediate Similarity NPC118511
0.8042 Intermediate Similarity NPC296527
0.8023 Intermediate Similarity NPC26850
0.802 Intermediate Similarity NPC285558
0.8 Intermediate Similarity NPC315957
0.8 Intermediate Similarity NPC76748
0.8 Intermediate Similarity NPC134079
0.8 Intermediate Similarity NPC260434
0.8 Intermediate Similarity NPC121772
0.799 Intermediate Similarity NPC212213
0.7989 Intermediate Similarity NPC74382
0.7989 Intermediate Similarity NPC206251
0.7979 Intermediate Similarity NPC13880
0.7969 Intermediate Similarity NPC307963
0.7958 Intermediate Similarity NPC92111
0.7949 Intermediate Similarity NPC187558
0.7929 Intermediate Similarity NPC470500
0.7885 Intermediate Similarity NPC122436
0.7872 Intermediate Similarity NPC48938
0.7861 Intermediate Similarity NPC222592
0.7861 Intermediate Similarity NPC168486
0.7857 Intermediate Similarity NPC110151
0.7857 Intermediate Similarity NPC18487
0.7824 Intermediate Similarity NPC324149
0.7822 Intermediate Similarity NPC5145
0.7817 Intermediate Similarity NPC234197
0.7804 Intermediate Similarity NPC182222
0.78 Intermediate Similarity NPC470164
0.78 Intermediate Similarity NPC323345
0.7796 Intermediate Similarity NPC224764
0.7795 Intermediate Similarity NPC251090
0.779 Intermediate Similarity NPC48192
0.7789 Intermediate Similarity NPC200836
0.7778 Intermediate Similarity NPC30540
0.7766 Intermediate Similarity NPC287437
0.7763 Intermediate Similarity NPC472434
0.775 Intermediate Similarity NPC165349
0.775 Intermediate Similarity NPC274291
0.775 Intermediate Similarity NPC264166
0.775 Intermediate Similarity NPC118832
0.775 Intermediate Similarity NPC47059
0.775 Intermediate Similarity NPC329708
0.7735 Intermediate Similarity NPC25899
0.7713 Intermediate Similarity NPC42979
0.7706 Intermediate Similarity NPC148889
0.7703 Intermediate Similarity NPC26543
0.77 Intermediate Similarity NPC53144
0.7696 Intermediate Similarity NPC42591
0.7696 Intermediate Similarity NPC208284
0.7685 Intermediate Similarity NPC469589
0.7676 Intermediate Similarity NPC314940
0.7676 Intermediate Similarity NPC473764
0.7668 Intermediate Similarity NPC224327
0.7668 Intermediate Similarity NPC242928
0.765 Intermediate Similarity NPC211813
0.765 Intermediate Similarity NPC473761
0.7647 Intermediate Similarity NPC85273
0.7644 Intermediate Similarity NPC84478
0.7641 Intermediate Similarity NPC133140
0.7641 Intermediate Similarity NPC195268
0.7635 Intermediate Similarity NPC266249
0.7633 Intermediate Similarity NPC170114
0.7633 Intermediate Similarity NPC288349
0.7632 Intermediate Similarity NPC474798
0.7627 Intermediate Similarity NPC470111
0.7622 Intermediate Similarity NPC1527
0.7621 Intermediate Similarity NPC162530
0.7619 Intermediate Similarity NPC472168
0.7612 Intermediate Similarity NPC223427
0.7592 Intermediate Similarity NPC176127
0.7585 Intermediate Similarity NPC470549
0.7583 Intermediate Similarity NPC216612
0.7574 Intermediate Similarity NPC36229
0.7574 Intermediate Similarity NPC16452
0.7574 Intermediate Similarity NPC476581
0.7574 Intermediate Similarity NPC475070
0.7573 Intermediate Similarity NPC94157
0.7566 Intermediate Similarity NPC472435
0.7561 Intermediate Similarity NPC123839
0.7552 Intermediate Similarity NPC284559
0.755 Intermediate Similarity NPC477019
0.754 Intermediate Similarity NPC252590
0.7539 Intermediate Similarity NPC118776
0.7537 Intermediate Similarity NPC472111
0.7533 Intermediate Similarity NPC53534
0.7526 Intermediate Similarity NPC12649
0.7524 Intermediate Similarity NPC17565
0.7512 Intermediate Similarity NPC470586
0.7512 Intermediate Similarity NPC180504
0.75 Intermediate Similarity NPC476578
0.75 Intermediate Similarity NPC4071
0.75 Intermediate Similarity NPC476582
0.7489 Intermediate Similarity NPC235685
0.7488 Intermediate Similarity NPC296482
0.7488 Intermediate Similarity NPC202768
0.7488 Intermediate Similarity NPC53069
0.7476 Intermediate Similarity NPC11464
0.7475 Intermediate Similarity NPC295898
0.7474 Intermediate Similarity NPC204385
0.7467 Intermediate Similarity NPC472436
0.7465 Intermediate Similarity NPC65277
0.746 Intermediate Similarity NPC312872
0.7455 Intermediate Similarity NPC101350
0.7452 Intermediate Similarity NPC469592
0.7452 Intermediate Similarity NPC266931
0.7452 Intermediate Similarity NPC471080
0.7451 Intermediate Similarity NPC476121
0.7451 Intermediate Similarity NPC476124
0.7443 Intermediate Similarity NPC295228
0.7436 Intermediate Similarity NPC46580
0.7433 Intermediate Similarity NPC44161
0.7429 Intermediate Similarity NPC473513
0.7426 Intermediate Similarity NPC31930
0.7423 Intermediate Similarity NPC314002
0.7423 Intermediate Similarity NPC282103
0.7415 Intermediate Similarity NPC193238
0.7415 Intermediate Similarity NPC313189
0.7413 Intermediate Similarity NPC128823
0.7404 Intermediate Similarity NPC118940
0.7404 Intermediate Similarity NPC171409
0.7404 Intermediate Similarity NPC316981
0.7404 Intermediate Similarity NPC96405
0.7393 Intermediate Similarity NPC173080
0.7385 Intermediate Similarity NPC102593
0.7385 Intermediate Similarity NPC196718
0.7382 Intermediate Similarity NPC283152
0.7379 Intermediate Similarity NPC476465
0.7376 Intermediate Similarity NPC329747
0.7371 Intermediate Similarity NPC204717
0.7358 Intermediate Similarity NPC470474
0.7358 Intermediate Similarity NPC206201
0.7351 Intermediate Similarity NPC285635
0.735 Intermediate Similarity NPC194967
0.7348 Intermediate Similarity NPC258048
0.7339 Intermediate Similarity NPC152620
0.7337 Intermediate Similarity NPC106937
0.7336 Intermediate Similarity NPC470501
0.7333 Intermediate Similarity NPC235076
0.733 Intermediate Similarity NPC288943
0.733 Intermediate Similarity NPC134586
0.733 Intermediate Similarity NPC135549
0.7324 Intermediate Similarity NPC132642
0.7321 Intermediate Similarity NPC264176
0.7321 Intermediate Similarity NPC472098
0.7321 Intermediate Similarity NPC112206
0.7321 Intermediate Similarity NPC202605
0.732 Intermediate Similarity NPC220765
0.7317 Intermediate Similarity NPC472259
0.7313 Intermediate Similarity NPC224928
0.7311 Intermediate Similarity NPC469594
0.731 Intermediate Similarity NPC110741
0.7309 Intermediate Similarity NPC99891
0.7308 Intermediate Similarity NPC188420
0.73 Intermediate Similarity NPC131017
0.7296 Intermediate Similarity NPC171171

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC267928 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
0.8105 Intermediate Similarity NPD4372 Phase 1
0.8073 Intermediate Similarity NPD3477 Phase 2
0.8073 Intermediate Similarity NPD3478 Clinical (unspecified phase)
0.802 Intermediate Similarity NPD4795 Phase 2
0.8 Intermediate Similarity NPD1740 Approved
0.8 Intermediate Similarity NPD1739 Approved
0.7989 Intermediate Similarity NPD1034 Phase 3
0.7989 Intermediate Similarity NPD1033 Clinical (unspecified phase)
0.7969 Intermediate Similarity NPD1038 Approved
0.7969 Intermediate Similarity NPD1304 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD112 Approved
0.7933 Intermediate Similarity NPD9705 Discontinued
0.7923 Intermediate Similarity NPD1856 Discontinued
0.7917 Intermediate Similarity NPD6569 Phase 2
0.7874 Intermediate Similarity NPD4881 Clinical (unspecified phase)
0.7854 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD6140 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7783 Intermediate Similarity NPD3939 Suspended
0.7766 Intermediate Similarity NPD4548 Discontinued
0.775 Intermediate Similarity NPD4038 Approved
0.775 Intermediate Similarity NPD4033 Approved
0.775 Intermediate Similarity NPD4122 Approved
0.775 Intermediate Similarity NPD4036 Approved
0.775 Intermediate Similarity NPD4039 Approved
0.775 Intermediate Similarity NPD4037 Approved
0.775 Intermediate Similarity NPD32 Approved
0.775 Intermediate Similarity NPD4035 Approved
0.775 Intermediate Similarity NPD31 Approved
0.775 Intermediate Similarity NPD4034 Approved
0.7725 Intermediate Similarity NPD4204 Approved
0.7725 Intermediate Similarity NPD4203 Approved
0.7722 Intermediate Similarity NPD2582 Approved
0.7722 Intermediate Similarity NPD2581 Approved
0.7696 Intermediate Similarity NPD5067 Phase 2
0.7696 Intermediate Similarity NPD5066 Phase 2
0.7677 Intermediate Similarity NPD3825 Phase 3
0.7673 Intermediate Similarity NPD1392 Approved
0.7641 Intermediate Similarity NPD3921 Approved
0.7641 Intermediate Similarity NPD3923 Approved
0.7641 Intermediate Similarity NPD3924 Approved
0.7641 Intermediate Similarity NPD3922 Approved
0.7634 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7604 Intermediate Similarity NPD4889 Approved
0.7602 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD2334 Discontinued
0.7586 Intermediate Similarity NPD7222 Phase 2
0.7581 Intermediate Similarity NPD565 Phase 2
0.7576 Intermediate Similarity NPD1622 Discontinued
0.7565 Intermediate Similarity NPD5256 Discontinued
0.7563 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD4429 Discontinued
0.7552 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD5658 Approved
0.7545 Intermediate Similarity NPD5482 Discontinued
0.7539 Intermediate Similarity NPD3386 Phase 2
0.7513 Intermediate Similarity NPD9695 Approved
0.7488 Intermediate Similarity NPD5559 Phase 2
0.7488 Intermediate Similarity NPD3816 Phase 1
0.7488 Intermediate Similarity NPD3815 Phase 1
0.7477 Intermediate Similarity NPD7067 Approved
0.7477 Intermediate Similarity NPD7068 Approved
0.7477 Intermediate Similarity NPD4440 Clinical (unspecified phase)
0.7475 Intermediate Similarity NPD3396 Approved
0.7475 Intermediate Similarity NPD3395 Approved
0.7474 Intermediate Similarity NPD1032 Phase 2
0.7464 Intermediate Similarity NPD5612 Discontinued
0.7463 Intermediate Similarity NPD5863 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD9690 Approved
0.7451 Intermediate Similarity NPD3003 Approved
0.7451 Intermediate Similarity NPD5530 Phase 1
0.7441 Intermediate Similarity NPD3402 Phase 1
0.7437 Intermediate Similarity NPD6550 Discontinued
0.7431 Intermediate Similarity NPD7558 Phase 2
0.7429 Intermediate Similarity NPD3440 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD7453 Approved
0.7415 Intermediate Similarity NPD7452 Approved
0.7402 Intermediate Similarity NPD3397 Phase 2
0.7387 Intermediate Similarity NPD6590 Discontinued
0.7387 Intermediate Similarity NPD4418 Discontinued
0.7382 Intermediate Similarity NPD6159 Phase 2
0.7381 Intermediate Similarity NPD6643 Discontinued
0.7379 Intermediate Similarity NPD2189 Approved
0.7379 Intermediate Similarity NPD2187 Approved
0.7366 Intermediate Similarity NPD5601 Phase 2
0.7361 Intermediate Similarity NPD6553 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD4131 Phase 3
0.7352 Intermediate Similarity NPD6223 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD6257 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD1620 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD802 Phase 2
0.733 Intermediate Similarity NPD4958 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD5999 Phase 2
0.7327 Intermediate Similarity NPD1768 Approved
0.7327 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD2780 Approved
0.7326 Intermediate Similarity NPD2782 Approved
0.7315 Intermediate Similarity NPD7674 Phase 3
0.7315 Intermediate Similarity NPD7426 Phase 1
0.7315 Intermediate Similarity NPD7675 Phase 3
0.7315 Intermediate Similarity NPD7676 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD1229 Phase 2
0.7313 Intermediate Similarity NPD6769 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD4899 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.73 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4375 Approved
0.7296 Intermediate Similarity NPD4919 Phase 3
0.7296 Intermediate Similarity NPD4920 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4921 Phase 3
0.7294 Intermediate Similarity NPD6968 Phase 2
0.7294 Intermediate Similarity NPD6969 Phase 2
0.7287 Intermediate Similarity NPD424 Approved
0.7287 Intermediate Similarity NPD425 Approved
0.7277 Intermediate Similarity NPD1923 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD6500 Approved
0.7277 Intermediate Similarity NPD6501 Approved
0.7273 Intermediate Similarity NPD6281 Approved
0.7273 Intermediate Similarity NPD3570 Phase 2
0.7273 Intermediate Similarity NPD6567 Clinical (unspecified phase)
0.7264 Intermediate Similarity NPD5512 Phase 3
0.7258 Intermediate Similarity NPD1418 Phase 2
0.7256 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD5902 Approved
0.7251 Intermediate Similarity NPD5903 Approved
0.7249 Intermediate Similarity NPD2781 Approved
0.7243 Intermediate Similarity NPD6242 Discontinued
0.724 Intermediate Similarity NPD2757 Phase 2
0.7238 Intermediate Similarity NPD4927 Discontinued
0.7238 Intermediate Similarity NPD3330 Phase 1
0.7238 Intermediate Similarity NPD7069 Discontinued
0.7236 Intermediate Similarity NPD4148 Approved
0.7235 Intermediate Similarity NPD1603 Discontinued
0.7235 Intermediate Similarity NPD1273 Discontinued
0.7235 Intermediate Similarity NPD7603 Discontinued
0.723 Intermediate Similarity NPD3354 Phase 2
0.723 Intermediate Similarity NPD6568 Discontinued
0.7229 Intermediate Similarity NPD6961 Discontinued
0.7225 Intermediate Similarity NPD2077 Approved
0.7225 Intermediate Similarity NPD2076 Approved
0.7216 Intermediate Similarity NPD2599 Approved
0.7216 Intermediate Similarity NPD2601 Approved
0.7216 Intermediate Similarity NPD2600 Approved
0.7215 Intermediate Similarity NPD5022 Discontinued
0.7213 Intermediate Similarity NPD9596 Approved
0.7213 Intermediate Similarity NPD9595 Approved
0.7208 Intermediate Similarity NPD3039 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD3006 Discontinued
0.7206 Intermediate Similarity NPD4396 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5944 Phase 1
0.7204 Intermediate Similarity NPD5945 Phase 1
0.7204 Intermediate Similarity NPD1322 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD5255 Approved
0.7202 Intermediate Similarity NPD4072 Approved
0.7202 Intermediate Similarity NPD4071 Approved
0.7198 Intermediate Similarity NPD3842 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7194 Discontinued
0.7196 Intermediate Similarity NPD3514 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD3763 Approved
0.719 Intermediate Similarity NPD4502 Phase 2
0.7188 Intermediate Similarity NPD4858 Phase 2
0.7182 Intermediate Similarity NPD6131 Phase 1
0.7165 Intermediate Similarity NPD3920 Phase 2
0.7164 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD6856 Discontinued
0.7162 Intermediate Similarity NPD5998 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD3343 Phase 3
0.7161 Intermediate Similarity NPD5450 Discontinued
0.7155 Intermediate Similarity NPD8049 Phase 2
0.7143 Intermediate Similarity NPD5045 Phase 2
0.7143 Intermediate Similarity NPD6306 Phase 2
0.7143 Intermediate Similarity NPD7948 Phase 1
0.7143 Intermediate Similarity NPD2952 Discontinued
0.7136 Intermediate Similarity NPD6147 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD8512 Phase 3
0.7136 Intermediate Similarity NPD6477 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD1259 Discontinued
0.7123 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD5320 Approved
0.712 Intermediate Similarity NPD5319 Approved
0.7118 Intermediate Similarity NPD5644 Phase 1
0.7117 Intermediate Similarity NPD6494 Phase 2
0.7115 Intermediate Similarity NPD6150 Discontinued
0.7113 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD3504 Approved
0.7113 Intermediate Similarity NPD3503 Approved
0.7112 Intermediate Similarity NPD8247 Approved
0.7112 Intermediate Similarity NPD8246 Approved
0.7112 Intermediate Similarity NPD6060 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD1258 Discontinued
0.711 Intermediate Similarity NPD4890 Phase 2
0.7105 Intermediate Similarity NPD8100 Phase 3
0.7101 Intermediate Similarity NPD2121 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD8063 Discontinued
0.7098 Intermediate Similarity NPD5065 Approved
0.7085 Intermediate Similarity NPD2383 Phase 1
0.7083 Intermediate Similarity NPD5930 Phase 3

Structure

External Identifiers

PubChem CID   5316876
ChEMBL   CHEMBL3401842
ZINC  

Physicochemical Properties

Molecular Weight:  254.11
ALogP:  0.6171
MLogP:  2.67
XLogP:  2.831
# Rotatable Bonds:  5
Polar Surface Area:  36.28
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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