Drug Information

Drug ID:  NPD3629
Drug Name:  Dapiprazole Hydrochloride
Molecular Formula:  C19H27N5.ClH
Canonical SMILES:  Cc1ccccc1N1CCN(CC1)CCc1nnc2n1CCCC2.Cl
Standard InCHI:  InChI=1S/C19H27N5.ClH/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19;/h2-3,6-7H,4-5,8-15H2,1H3;1H
Standard InCHIKey:  ZIODNPFQZIHCOE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3629

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7222 NPC476219
Intermediate Similarity 0.7197 NPC20144
Intermediate Similarity 0.7101 NPC164802
Intermediate Similarity 0.7076 NPC317054
Intermediate Similarity 0.7037 NPC40070
Intermediate Similarity 0.7 NPC204141
Remote Similarity 0.6993 NPC288232
Remote Similarity 0.6923 NPC195507
Remote Similarity 0.6923 NPC2165
Remote Similarity 0.6909 NPC476297
Remote Similarity 0.6899 NPC88097
Remote Similarity 0.681 NPC114209
Remote Similarity 0.6807 NPC120070
Remote Similarity 0.6792 NPC104483
Remote Similarity 0.6752 NPC198988
Remote Similarity 0.6736 NPC296163
Remote Similarity 0.6707 NPC21605
Remote Similarity 0.6706 NPC470203
Remote Similarity 0.6667 NPC291610
Remote Similarity 0.6667 NPC75999
Remote Similarity 0.6667 NPC192209
Remote Similarity 0.6648 NPC471609
Remote Similarity 0.6647 NPC470204
Remote Similarity 0.6647 NPC81229
Remote Similarity 0.6647 NPC255229
Remote Similarity 0.6646 NPC59084
Remote Similarity 0.6605 NPC473868
Remote Similarity 0.6605 NPC63157
Remote Similarity 0.6604 NPC325252
Remote Similarity 0.66 NPC475915
Remote Similarity 0.6591 NPC471579
Remote Similarity 0.6588 NPC474880
Remote Similarity 0.6588 NPC221786
Remote Similarity 0.6588 NPC475990
Remote Similarity 0.6587 NPC469975
Remote Similarity 0.6562 NPC251722
Remote Similarity 0.6562 NPC125746
Remote Similarity 0.6562 NPC150259
Remote Similarity 0.6562 NPC314102
Remote Similarity 0.6556 NPC265605
Remote Similarity 0.6556 NPC182570
Remote Similarity 0.6556 NPC48564
Remote Similarity 0.6554 NPC476566
Remote Similarity 0.655 NPC229173
Remote Similarity 0.6543 NPC2949
Remote Similarity 0.6536 NPC476322
Remote Similarity 0.6536 NPC52764
Remote Similarity 0.6512 NPC194881
Remote Similarity 0.651 NPC81561
Remote Similarity 0.65 NPC216159
Remote Similarity 0.6474 NPC247987
Remote Similarity 0.6453 NPC122141
Remote Similarity 0.6452 NPC476950
Remote Similarity 0.6443 NPC148140
Remote Similarity 0.6443 NPC313449
Remote Similarity 0.6442 NPC115611
Remote Similarity 0.6433 NPC476131
Remote Similarity 0.6416 NPC225018
Remote Similarity 0.6407 NPC470111
Remote Similarity 0.6405 NPC283130
Remote Similarity 0.6405 NPC328683
Remote Similarity 0.6395 NPC300238
Remote Similarity 0.6395 NPC187036
Remote Similarity 0.6392 NPC69914
Remote Similarity 0.6391 NPC470233
Remote Similarity 0.6387 NPC252794
Remote Similarity 0.6386 NPC470440
Remote Similarity 0.6384 NPC105758
Remote Similarity 0.6384 NPC476686
Remote Similarity 0.6384 NPC476688
Remote Similarity 0.6379 NPC271797
Remote Similarity 0.6379 NPC478182
Remote Similarity 0.6379 NPC21174
Remote Similarity 0.6364 NPC46358
Remote Similarity 0.6364 NPC278874
Remote Similarity 0.6358 NPC54102
Remote Similarity 0.6358 NPC162689
Remote Similarity 0.6352 NPC101165
Remote Similarity 0.6347 NPC143872
Remote Similarity 0.6331 NPC33421
Remote Similarity 0.6328 NPC474897
Remote Similarity 0.6323 NPC122718
Remote Similarity 0.631 NPC179787
Remote Similarity 0.631 NPC201380
Remote Similarity 0.6304 NPC476341
Remote Similarity 0.6296 NPC218268
Remote Similarity 0.6291 NPC240136
Remote Similarity 0.6291 NPC297486
Remote Similarity 0.6291 NPC471402
Remote Similarity 0.6291 NPC264580
Remote Similarity 0.629 NPC472289
Remote Similarity 0.6289 NPC22079
Remote Similarity 0.6287 NPC469525
Remote Similarity 0.6284 NPC314141
Remote Similarity 0.628 NPC110126
Remote Similarity 0.628 NPC73767
Remote Similarity 0.6278 NPC280852
Remote Similarity 0.6278 NPC472122
Remote Similarity 0.6278 NPC24594
Remote Similarity 0.6275 NPC215519
Remote Similarity 0.6273 NPC300299
Remote Similarity 0.6272 NPC321911
Remote Similarity 0.6269 NPC469308
Remote Similarity 0.6266 NPC9856
Remote Similarity 0.6264 NPC16659
Remote Similarity 0.6257 NPC325903
Remote Similarity 0.6257 NPC208060
Remote Similarity 0.625 NPC478186
Remote Similarity 0.625 NPC63545
Remote Similarity 0.625 NPC471322
Remote Similarity 0.6243 NPC129721
Remote Similarity 0.6243 NPC326575
Remote Similarity 0.6242 NPC238499
Remote Similarity 0.6242 NPC469768
Remote Similarity 0.6242 NPC469780
Remote Similarity 0.6242 NPC469783
Remote Similarity 0.6242 NPC284635
Remote Similarity 0.6242 NPC469767
Remote Similarity 0.6242 NPC469761
Remote Similarity 0.6242 NPC469784
Remote Similarity 0.6242 NPC469779
Remote Similarity 0.623 NPC307191
Remote Similarity 0.623 NPC477891
Remote Similarity 0.6218 NPC27740
Remote Similarity 0.6215 NPC56233
Remote Similarity 0.6215 NPC49217
Remote Similarity 0.6213 NPC469811
Remote Similarity 0.6209 NPC133261
Remote Similarity 0.6209 NPC265710
Remote Similarity 0.6207 NPC56765
Remote Similarity 0.6207 NPC293487
Remote Similarity 0.6207 NPC477591
Remote Similarity 0.6205 NPC469766
Remote Similarity 0.6194 NPC41174
Remote Similarity 0.6194 NPC329825
Remote Similarity 0.6193 NPC478184
Remote Similarity 0.619 NPC469735
Remote Similarity 0.6183 NPC135601
Remote Similarity 0.6183 NPC17273
Remote Similarity 0.6183 NPC141612
Remote Similarity 0.618 NPC317430
Remote Similarity 0.6178 NPC146373
Remote Similarity 0.6178 NPC245244
Remote Similarity 0.6178 NPC166424
Remote Similarity 0.6176 NPC282531
Remote Similarity 0.6175 NPC187827
Remote Similarity 0.6175 NPC15840
Remote Similarity 0.6175 NPC472105
Remote Similarity 0.6167 NPC161861
Remote Similarity 0.6167 NPC472123
Remote Similarity 0.6164 NPC226662
Remote Similarity 0.6163 NPC281094
Remote Similarity 0.6162 NPC108011
Remote Similarity 0.6162 NPC21429
Remote Similarity 0.6159 NPC84911
Remote Similarity 0.6159 NPC105127
Remote Similarity 0.6149 NPC475450
Remote Similarity 0.6145 NPC164664
Remote Similarity 0.6144 NPC91958
Remote Similarity 0.614 NPC206592
Remote Similarity 0.6139 NPC145754
Remote Similarity 0.6135 NPC471123
Remote Similarity 0.6124 NPC478183
Remote Similarity 0.6114 NPC6436
Remote Similarity 0.6108 NPC472104
Remote Similarity 0.6108 NPC143533
Remote Similarity 0.6108 NPC472109
Remote Similarity 0.6108 NPC472110
Remote Similarity 0.6102 NPC317105
Remote Similarity 0.6098 NPC29886
Remote Similarity 0.6098 NPC96102
Remote Similarity 0.6098 NPC261195
Remote Similarity 0.6095 NPC86288
Remote Similarity 0.6092 NPC51054
Remote Similarity 0.6087 NPC207428
Remote Similarity 0.6087 NPC282398
Remote Similarity 0.6084 NPC316811
Remote Similarity 0.6084 NPC32002
Remote Similarity 0.6084 NPC315348
Remote Similarity 0.6075 NPC258480
Remote Similarity 0.6075 NPC472119
Remote Similarity 0.6069 NPC232798
Remote Similarity 0.6066 NPC473380
Remote Similarity 0.6066 NPC240088
Remote Similarity 0.6061 NPC469560
Remote Similarity 0.6057 NPC236711
Remote Similarity 0.6056 NPC91895
Remote Similarity 0.6054 NPC144114
Remote Similarity 0.6054 NPC302790
Remote Similarity 0.6051 NPC290094
Remote Similarity 0.6049 NPC82295
Remote Similarity 0.6047 NPC53947
Remote Similarity 0.6045 NPC224632
Remote Similarity 0.6045 NPC478185
Remote Similarity 0.6043 NPC472107
Remote Similarity 0.6043 NPC79062
Remote Similarity 0.604 NPC27802
Remote Similarity 0.6039 NPC143603
Remote Similarity 0.6038 NPC250361
Remote Similarity 0.6038 NPC476140

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  325.23
ALogP  -0.4008
MLogP  3
XLogP  3.72
HDA  5
HBD  0
Rotatable Bonds  5
TPSA  37.19
RO5 Violation  0