Natural Product: NPC145134

Natural Product ID:  NPC145134
Common Name:   3,5-Dimethoxybenzoic Acid
IUPAC Name:   3,5-dimethoxybenzoic acid
Synonyms:   3,5-Dimethoxybenzoic Acid
Molecular Formula:   C9H10O4
Standard InCHIKey:  IWPZKOJSYQZABD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
Canonical SMILES:  COc1cc(OC)cc(c1)C(=O)O
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
NPO29118 Euonymus alatus Species Celastraceae Eukaryota TM-MC*
NPO18932 Melia azedarach Species Meliaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 3.6 % 24268551
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 > 100000 nM 24268551
NPT2 Others Unspecified Activity = 0.1 equiv 24268551

  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 NPC145134 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
0.9213 High Similarity NPC155098
0.9153 High Similarity NPC240664
0.9076 High Similarity NPC166591
0.9024 High Similarity NPC6888
0.9 High Similarity NPC110899
0.9 High Similarity NPC25305
0.9 High Similarity NPC112068
0.9 High Similarity NPC125417
0.9 High Similarity NPC95679
0.8898 High Similarity NPC299010
0.8828 High Similarity NPC264145
0.8814 High Similarity NPC98543
0.881 High Similarity NPC71525
0.8788 High Similarity NPC207516
0.875 High Similarity NPC285776
0.875 High Similarity NPC307732
0.875 High Similarity NPC42292
0.874 High Similarity NPC293453
0.8739 High Similarity NPC81808
0.8702 High Similarity NPC182496
0.8702 High Similarity NPC180905
0.8692 High Similarity NPC288743
0.8692 High Similarity NPC304929
0.8692 High Similarity NPC156124
0.8692 High Similarity NPC1321
0.8689 High Similarity NPC61779
0.8605 High Similarity NPC12694
0.8593 High Similarity NPC90411
0.8583 High Similarity NPC475236
0.8571 High Similarity NPC135837
0.8561 High Similarity NPC18646
0.8561 High Similarity NPC208760
0.855 High Similarity NPC159418
0.855 High Similarity NPC283823
0.8512 High Similarity NPC322358
0.8504 High Similarity NPC173608
0.8496 Intermediate Similarity NPC156892
0.8473 Intermediate Similarity NPC111888
0.8438 Intermediate Similarity NPC95309
0.8438 Intermediate Similarity NPC154275
0.8421 Intermediate Similarity NPC274613
0.8413 Intermediate Similarity NPC69403
0.8413 Intermediate Similarity NPC291189
0.8397 Intermediate Similarity NPC219892
0.8397 Intermediate Similarity NPC189823
0.8382 Intermediate Similarity NPC165172
0.8372 Intermediate Similarity NPC305518
0.8372 Intermediate Similarity NPC158654
0.8372 Intermediate Similarity NPC128428
0.8361 Intermediate Similarity NPC220540
0.8358 Intermediate Similarity NPC223616
0.8346 Intermediate Similarity NPC237330
0.8333 Intermediate Similarity NPC472006
0.8333 Intermediate Similarity NPC51106
0.8333 Intermediate Similarity NPC310373
0.8333 Intermediate Similarity NPC134975
0.8321 Intermediate Similarity NPC145673
0.8321 Intermediate Similarity NPC475730
0.8321 Intermediate Similarity NPC67650
0.8321 Intermediate Similarity NPC247779
0.8321 Intermediate Similarity NPC1704
0.8309 Intermediate Similarity NPC4796
0.8308 Intermediate Similarity NPC304747
0.8308 Intermediate Similarity NPC186098
0.8308 Intermediate Similarity NPC80694
0.8298 Intermediate Similarity NPC172329
0.8298 Intermediate Similarity NPC2569
0.8298 Intermediate Similarity NPC107636
0.8298 Intermediate Similarity NPC153417
0.8296 Intermediate Similarity NPC473391
0.8296 Intermediate Similarity NPC472364
0.8293 Intermediate Similarity NPC131192
0.8286 Intermediate Similarity NPC472033
0.8286 Intermediate Similarity NPC107625
0.8281 Intermediate Similarity NPC221798
0.8271 Intermediate Similarity NPC153783
0.8268 Intermediate Similarity NPC311219
0.8261 Intermediate Similarity NPC250755
0.8261 Intermediate Similarity NPC474385
0.8261 Intermediate Similarity NPC18714
0.8244 Intermediate Similarity NPC69235
0.8244 Intermediate Similarity NPC78662
0.8244 Intermediate Similarity NPC8005
0.8244 Intermediate Similarity NPC212379
0.8244 Intermediate Similarity NPC226855
0.8239 Intermediate Similarity NPC285527
0.8239 Intermediate Similarity NPC473091
0.8239 Intermediate Similarity NPC106334
0.8235 Intermediate Similarity NPC239943
0.8231 Intermediate Similarity NPC209959
0.8231 Intermediate Similarity NPC264428
0.8227 Intermediate Similarity NPC472036
0.822 Intermediate Similarity NPC164576
0.8217 Intermediate Similarity NPC4164
0.8217 Intermediate Similarity NPC58279
0.8217 Intermediate Similarity NPC300326
0.8214 Intermediate Similarity NPC131766
0.8214 Intermediate Similarity NPC472034
0.8214 Intermediate Similarity NPC262282
0.8211 Intermediate Similarity NPC188907
0.8209 Intermediate Similarity NPC175943
0.8209 Intermediate Similarity NPC45404
0.8201 Intermediate Similarity NPC469542
0.8195 Intermediate Similarity NPC112192
0.8195 Intermediate Similarity NPC164236
0.8195 Intermediate Similarity NPC189106
0.8195 Intermediate Similarity NPC309717
0.8195 Intermediate Similarity NPC307289
0.8195 Intermediate Similarity NPC128348
0.8195 Intermediate Similarity NPC66384
0.8188 Intermediate Similarity NPC220106
0.8182 Intermediate Similarity NPC54626
0.8182 Intermediate Similarity NPC475717
0.8182 Intermediate Similarity NPC213382
0.8182 Intermediate Similarity NPC469929
0.8182 Intermediate Similarity NPC295036
0.8182 Intermediate Similarity NPC470107
0.8182 Intermediate Similarity NPC164527
0.8175 Intermediate Similarity NPC471819
0.8175 Intermediate Similarity NPC75763
0.8175 Intermediate Similarity NPC92655
0.8175 Intermediate Similarity NPC225036
0.8175 Intermediate Similarity NPC18457
0.8175 Intermediate Similarity NPC105525
0.8175 Intermediate Similarity NPC268691
0.8175 Intermediate Similarity NPC12218
0.8169 Intermediate Similarity NPC228012
0.8168 Intermediate Similarity NPC2596
0.8162 Intermediate Similarity NPC193792
0.816 Intermediate Similarity NPC27633
0.816 Intermediate Similarity NPC94298
0.8156 Intermediate Similarity NPC260946
0.8145 Intermediate Similarity NPC128825
0.8143 Intermediate Similarity NPC66404
0.8143 Intermediate Similarity NPC95123
0.8143 Intermediate Similarity NPC210425
0.8143 Intermediate Similarity NPC86373
0.8143 Intermediate Similarity NPC277426
0.8143 Intermediate Similarity NPC280404
0.814 Intermediate Similarity NPC4012
0.8136 Intermediate Similarity NPC288760
0.8134 Intermediate Similarity NPC129132
0.8134 Intermediate Similarity NPC205468
0.8134 Intermediate Similarity NPC257756
0.8134 Intermediate Similarity NPC212631
0.8134 Intermediate Similarity NPC87231
0.8129 Intermediate Similarity NPC299154
0.8129 Intermediate Similarity NPC103752
0.8129 Intermediate Similarity NPC49108
0.8129 Intermediate Similarity NPC469579
0.8129 Intermediate Similarity NPC297985
0.8129 Intermediate Similarity NPC312256
0.8129 Intermediate Similarity NPC105648
0.8125 Intermediate Similarity NPC46634
0.8125 Intermediate Similarity NPC297193
0.8125 Intermediate Similarity NPC225710
0.8125 Intermediate Similarity NPC39819
0.8125 Intermediate Similarity NPC75695
0.8116 Intermediate Similarity NPC326065
0.8116 Intermediate Similarity NPC310370
0.8116 Intermediate Similarity NPC183642
0.8116 Intermediate Similarity NPC50823
0.8112 Intermediate Similarity NPC73236
0.8112 Intermediate Similarity NPC70764
0.8106 Intermediate Similarity NPC230818
0.8102 Intermediate Similarity NPC332594
0.8102 Intermediate Similarity NPC221046
0.8102 Intermediate Similarity NPC212767
0.8099 Intermediate Similarity NPC168657
0.8099 Intermediate Similarity NPC146884
0.8092 Intermediate Similarity NPC121104
0.8088 Intermediate Similarity NPC158481
0.8088 Intermediate Similarity NPC84699
0.8088 Intermediate Similarity NPC235115
0.8085 Intermediate Similarity NPC312789
0.8085 Intermediate Similarity NPC98926
0.8085 Intermediate Similarity NPC134621
0.808 Intermediate Similarity NPC217423
0.808 Intermediate Similarity NPC45104
0.8077 Intermediate Similarity NPC65041
0.8074 Intermediate Similarity NPC263670
0.8074 Intermediate Similarity NPC312318
0.8074 Intermediate Similarity NPC337373
0.8074 Intermediate Similarity NPC242294
0.8074 Intermediate Similarity NPC175098
0.8074 Intermediate Similarity NPC472365
0.8074 Intermediate Similarity NPC56031
0.8074 Intermediate Similarity NPC192304
0.8074 Intermediate Similarity NPC188646
0.8074 Intermediate Similarity NPC27643
0.8074 Intermediate Similarity NPC139813
0.8071 Intermediate Similarity NPC476164
0.8071 Intermediate Similarity NPC3732
0.8071 Intermediate Similarity NPC476310
0.8071 Intermediate Similarity NPC287722
0.8069 Intermediate Similarity NPC310661
0.8069 Intermediate Similarity NPC105827
0.8067 Intermediate Similarity NPC187913
0.806 Intermediate Similarity NPC27490
0.806 Intermediate Similarity NPC313618

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC145134 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
0.8692 High Similarity NPD230 Phase 1
0.8444 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8321 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8296 Intermediate Similarity NPD1551 Phase 2
0.8271 Intermediate Similarity NPD447 Suspended
0.8268 Intermediate Similarity NPD9717 Approved
0.824 Intermediate Similarity NPD9268 Approved
0.816 Intermediate Similarity NPD9545 Approved
0.8145 Intermediate Similarity NPD9493 Approved
0.8125 Intermediate Similarity NPD9269 Phase 2
0.806 Intermediate Similarity NPD1240 Approved
0.8045 Intermediate Similarity NPD411 Approved
0.8029 Intermediate Similarity NPD2935 Discontinued
0.7958 Intermediate Similarity NPD2532 Approved
0.7958 Intermediate Similarity NPD2533 Approved
0.7958 Intermediate Similarity NPD2534 Approved
0.7956 Intermediate Similarity NPD1510 Phase 2
0.7941 Intermediate Similarity NPD1607 Approved
0.7939 Intermediate Similarity NPD1203 Approved
0.7929 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD3750 Approved
0.7846 Intermediate Similarity NPD1608 Approved
0.7785 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7769 Intermediate Similarity NPD422 Phase 1
0.7744 Intermediate Similarity NPD1019 Discontinued
0.7737 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7718 Intermediate Similarity NPD5402 Approved
0.7698 Intermediate Similarity NPD3748 Approved
0.7687 Intermediate Similarity NPD9494 Approved
0.766 Intermediate Similarity NPD1549 Phase 2
0.7651 Intermediate Similarity NPD7819 Suspended
0.7639 Intermediate Similarity NPD6799 Approved
0.7639 Intermediate Similarity NPD1511 Approved
0.7615 Intermediate Similarity NPD1778 Approved
0.7615 Intermediate Similarity NPD17 Approved
0.7603 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD4308 Phase 3
0.7561 Intermediate Similarity NPD9264 Approved
0.7561 Intermediate Similarity NPD9263 Approved
0.7561 Intermediate Similarity NPD9267 Approved
0.7561 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD4628 Phase 3
0.7534 Intermediate Similarity NPD1512 Approved
0.7533 Intermediate Similarity NPD2801 Approved
0.7533 Intermediate Similarity NPD1465 Phase 2
0.7532 Intermediate Similarity NPD6232 Discontinued
0.7518 Intermediate Similarity NPD2313 Discontinued
0.7518 Intermediate Similarity NPD3764 Approved
0.7517 Intermediate Similarity NPD7411 Suspended
0.75 Intermediate Similarity NPD3226 Approved
0.75 Intermediate Similarity NPD74 Approved
0.75 Intermediate Similarity NPD9266 Approved
0.75 Intermediate Similarity NPD6832 Phase 2
0.7483 Intermediate Similarity NPD1243 Approved
0.7483 Intermediate Similarity NPD5353 Approved
0.7483 Intermediate Similarity NPD3817 Phase 2
0.7483 Intermediate Similarity NPD5403 Approved
0.7483 Intermediate Similarity NPD920 Approved
0.7483 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD1934 Approved
0.7466 Intermediate Similarity NPD5401 Approved
0.7465 Intermediate Similarity NPD2346 Discontinued
0.7463 Intermediate Similarity NPD3225 Approved
0.7463 Intermediate Similarity NPD1283 Approved
0.7434 Intermediate Similarity NPD3882 Suspended
0.7434 Intermediate Similarity NPD7768 Phase 2
0.7424 Intermediate Similarity NPD3496 Discontinued
0.7417 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD2797 Approved
0.7394 Intermediate Similarity NPD2796 Approved
0.7391 Intermediate Similarity NPD1296 Phase 2
0.7389 Intermediate Similarity NPD7473 Discontinued
0.7386 Intermediate Similarity NPD7075 Discontinued
0.7361 Intermediate Similarity NPD2800 Approved
0.7351 Intermediate Similarity NPD37 Approved
0.7347 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD1241 Discontinued
0.7333 Intermediate Similarity NPD4380 Phase 2
0.7333 Intermediate Similarity NPD6599 Discontinued
0.7324 Intermediate Similarity NPD2799 Discontinued
0.7317 Intermediate Similarity NPD164 Approved
0.7313 Intermediate Similarity NPD1481 Phase 2
0.7296 Intermediate Similarity NPD5844 Phase 1
0.7287 Intermediate Similarity NPD9281 Approved
0.7286 Intermediate Similarity NPD4307 Phase 2
0.7286 Intermediate Similarity NPD943 Approved
0.728 Intermediate Similarity NPD1358 Approved
0.7279 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6100 Approved
0.7273 Intermediate Similarity NPD3749 Approved
0.7273 Intermediate Similarity NPD6971 Discontinued
0.7273 Intermediate Similarity NPD6099 Approved
0.7266 Intermediate Similarity NPD3268 Approved
0.7239 Intermediate Similarity NPD1535 Discovery
0.7239 Intermediate Similarity NPD1281 Approved
0.7237 Intermediate Similarity NPD6801 Discontinued
0.7236 Intermediate Similarity NPD9261 Approved
0.7234 Intermediate Similarity NPD1933 Approved
0.723 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD2798 Approved
0.7222 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD4626 Approved
0.7211 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD4967 Phase 2
0.7208 Intermediate Similarity NPD4965 Approved
0.7208 Intermediate Similarity NPD4966 Approved
0.7205 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD3134 Approved
0.7197 Intermediate Similarity NPD5711 Approved
0.7197 Intermediate Similarity NPD5710 Approved
0.7194 Intermediate Similarity NPD3027 Phase 3
0.7183 Intermediate Similarity NPD6651 Approved
0.7162 Intermediate Similarity NPD4357 Discontinued
0.7161 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5242 Approved
0.7152 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4288 Approved
0.7143 Intermediate Similarity NPD5585 Approved
0.7143 Intermediate Similarity NPD6190 Approved
0.7132 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD4749 Approved
0.7125 Intermediate Similarity NPD3818 Discontinued
0.7123 Intermediate Similarity NPD2654 Approved
0.7122 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD919 Approved
0.7115 Intermediate Similarity NPD6234 Discontinued
0.7114 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6005 Phase 3
0.7103 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD6004 Phase 3
0.7103 Intermediate Similarity NPD6002 Phase 3
0.7101 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2182 Approved
0.7086 Intermediate Similarity NPD1653 Approved
0.708 Intermediate Similarity NPD1876 Approved
0.7075 Intermediate Similarity NPD7003 Approved
0.7068 Intermediate Similarity NPD1548 Phase 1
0.7068 Intermediate Similarity NPD1894 Discontinued
0.7063 Intermediate Similarity NPD6653 Approved
0.7059 Intermediate Similarity NPD6385 Approved
0.7059 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3972 Approved
0.7059 Intermediate Similarity NPD6386 Approved
0.7055 Intermediate Similarity NPD6559 Discontinued
0.705 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD3847 Discontinued
0.7034 Intermediate Similarity NPD9258 Approved
0.7034 Intermediate Similarity NPD9256 Approved
0.7032 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD3267 Approved
0.7029 Intermediate Similarity NPD3266 Approved
0.7029 Intermediate Similarity NPD1470 Approved
0.7025 Intermediate Similarity NPD6959 Discontinued
0.7021 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1652 Phase 2
0.7 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6166 Phase 2
0.7 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.6994 Remote Similarity NPD5953 Discontinued
0.6993 Remote Similarity NPD5124 Phase 1
0.6993 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1238 Approved
0.6992 Remote Similarity NPD5536 Phase 2
0.6985 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6985 Remote Similarity NPD1610 Phase 2
0.6984 Remote Similarity NPD9697 Approved
0.698 Remote Similarity NPD7440 Discontinued
0.6975 Remote Similarity NPD7054 Approved
0.6975 Remote Similarity NPD7286 Phase 2
0.6972 Remote Similarity NPD6233 Phase 2
0.6966 Remote Similarity NPD7033 Discontinued
0.6962 Remote Similarity NPD5494 Approved
0.6962 Remote Similarity NPD6746 Phase 2
0.6954 Remote Similarity NPD6273 Approved
0.6935 Remote Similarity NPD1242 Phase 1
0.6933 Remote Similarity NPD7074 Phase 3
0.6933 Remote Similarity NPD7472 Approved
0.6923 Remote Similarity NPD1613 Approved
0.6923 Remote Similarity NPD2979 Phase 3
0.6923 Remote Similarity NPD228 Approved
0.6923 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1247 Approved
0.6906 Remote Similarity NPD1164 Approved
0.6901 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6894 Remote Similarity NPD690 Clinical (unspecified phase)
0.689 Remote Similarity NPD6797 Phase 2
0.6889 Remote Similarity NPD1651 Approved
0.6889 Remote Similarity NPD5691 Approved

Structure

External Identifiers

PubChem CID   14332
ChEMBL   CHEMBL488610
ZINC  

Physicochemical Properties

Molecular Weight:  182.06
ALogP:  -0.3434
MLogP:  2.01
XLogP:  1.145
# Rotatable Bonds:  6
Polar Surface Area:  55.76
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  13

Download Data

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