Drug Information

Drug ID:  NPD5473
Drug Name:  NPC-18166
Molecular Formula:  C23H22F2N2O
Canonical SMILES:  Fc1ccc(cc1)C(=O)CCCN1CC2CCC1c1c2[nH]c2c1cc(F)cc2
Standard InCHI:  InChI=1S/C23H22F2N2O/c24-16-6-3-14(4-7-16)21(28)2-1-11-27-13-15-5-10-20(27)22-18-12-17(25)8-9-19(18)26-23(15)22/h3-4,6-9,12,15,20,26H,1-2,5,10-11,13H2
Standard InCHIKey:  VNWQIGLGFPUCOI-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5473

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
High Similarity 0.8503 NPC271797
High Similarity 0.8503 NPC21174
Intermediate Similarity 0.84 NPC470205
Intermediate Similarity 0.8258 NPC141612
Intermediate Similarity 0.8258 NPC135601
Intermediate Similarity 0.8258 NPC17273
Intermediate Similarity 0.8249 NPC21429
Intermediate Similarity 0.8202 NPC133003
Intermediate Similarity 0.8155 NPC76982
Intermediate Similarity 0.8103 NPC252572
Intermediate Similarity 0.8068 NPC284775
Intermediate Similarity 0.8023 NPC115232
Intermediate Similarity 0.8022 NPC324091
Intermediate Similarity 0.7989 NPC471943
Intermediate Similarity 0.7989 NPC117027
Intermediate Similarity 0.7989 NPC304203
Intermediate Similarity 0.7952 NPC21605
Intermediate Similarity 0.7943 NPC6982
Intermediate Similarity 0.7892 NPC326422
Intermediate Similarity 0.7869 NPC473666
Intermediate Similarity 0.7866 NPC63157
Intermediate Similarity 0.7866 NPC473868
Intermediate Similarity 0.7857 NPC33421
Intermediate Similarity 0.7845 NPC477003
Intermediate Similarity 0.7833 NPC191415
Intermediate Similarity 0.7826 NPC329858
Intermediate Similarity 0.7826 NPC472112
Intermediate Similarity 0.7809 NPC151635
Intermediate Similarity 0.7805 NPC59084
Intermediate Similarity 0.7797 NPC161861
Intermediate Similarity 0.7796 NPC472210
Intermediate Similarity 0.7796 NPC472295
Intermediate Similarity 0.7796 NPC269886
Intermediate Similarity 0.7796 NPC81802
Intermediate Similarity 0.7796 NPC247735
Intermediate Similarity 0.7784 NPC476460
Intermediate Similarity 0.7778 NPC88110
Intermediate Similarity 0.7766 NPC167710
Intermediate Similarity 0.7765 NPC237188
Intermediate Similarity 0.7744 NPC88097
Intermediate Similarity 0.7725 NPC470440
Intermediate Similarity 0.7714 NPC42372
Intermediate Similarity 0.7701 NPC214106
Intermediate Similarity 0.7667 NPC157583
Intermediate Similarity 0.7661 NPC200743
Intermediate Similarity 0.7654 NPC189812
Intermediate Similarity 0.7654 NPC329688
Intermediate Similarity 0.7647 NPC272458
Intermediate Similarity 0.7647 NPC472113
Intermediate Similarity 0.7647 NPC47190
Intermediate Similarity 0.7647 NPC472292
Intermediate Similarity 0.7634 NPC314333
Intermediate Similarity 0.7632 NPC34837
Intermediate Similarity 0.7619 NPC472293
Intermediate Similarity 0.7614 NPC71132
Intermediate Similarity 0.7609 NPC99939
Intermediate Similarity 0.7609 NPC308931
Intermediate Similarity 0.7607 NPC198988
Intermediate Similarity 0.7602 NPC470233
Intermediate Similarity 0.76 NPC194881
Intermediate Similarity 0.7596 NPC102755
Intermediate Similarity 0.7593 NPC473930
Intermediate Similarity 0.759 NPC2949
Intermediate Similarity 0.7586 NPC56765
Intermediate Similarity 0.7586 NPC474880
Intermediate Similarity 0.7586 NPC221786
Intermediate Similarity 0.7586 NPC475990
Intermediate Similarity 0.7581 NPC63199
Intermediate Similarity 0.7581 NPC196251
Intermediate Similarity 0.7581 NPC111602
Intermediate Similarity 0.7581 NPC103119
Intermediate Similarity 0.7581 NPC102338
Intermediate Similarity 0.7561 NPC325252
Intermediate Similarity 0.7556 NPC293216
Intermediate Similarity 0.7543 NPC229173
Intermediate Similarity 0.7531 NPC475450
Intermediate Similarity 0.7526 NPC79356
Intermediate Similarity 0.7526 NPC102592
Intermediate Similarity 0.7526 NPC317701
Intermediate Similarity 0.75 NPC472297
Intermediate Similarity 0.75 NPC472296
Intermediate Similarity 0.7474 NPC162730
Intermediate Similarity 0.7474 NPC157828
Intermediate Similarity 0.7474 NPC19692
Intermediate Similarity 0.7474 NPC220151
Intermediate Similarity 0.7474 NPC195239
Intermediate Similarity 0.7469 NPC475428
Intermediate Similarity 0.7453 NPC473762
Intermediate Similarity 0.7448 NPC50503
Intermediate Similarity 0.7438 NPC250361
Intermediate Similarity 0.7435 NPC11445
Intermediate Similarity 0.7423 NPC179365
Intermediate Similarity 0.7411 NPC477065
Intermediate Similarity 0.7409 NPC237414
Intermediate Similarity 0.7407 NPC473587
Intermediate Similarity 0.7396 NPC227582
Intermediate Similarity 0.7394 NPC175474
Intermediate Similarity 0.7394 NPC255909
Intermediate Similarity 0.7391 NPC477042
Intermediate Similarity 0.7389 NPC194411
Intermediate Similarity 0.7386 NPC474492
Intermediate Similarity 0.7386 NPC318065
Intermediate Similarity 0.7386 NPC206819
Intermediate Similarity 0.7385 NPC474116
Intermediate Similarity 0.7381 NPC115611
Intermediate Similarity 0.7371 NPC199851
Intermediate Similarity 0.7371 NPC313985
Intermediate Similarity 0.7371 NPC312870
Intermediate Similarity 0.7371 NPC49196
Intermediate Similarity 0.7371 NPC254240
Intermediate Similarity 0.7371 NPC195461
Intermediate Similarity 0.7371 NPC81654
Intermediate Similarity 0.7371 NPC294909
Intermediate Similarity 0.7371 NPC79129
Intermediate Similarity 0.7371 NPC128265
Intermediate Similarity 0.7371 NPC249150
Intermediate Similarity 0.7368 NPC216550
Intermediate Similarity 0.7366 NPC467063
Intermediate Similarity 0.7366 NPC258480
Intermediate Similarity 0.7362 NPC22079
Intermediate Similarity 0.736 NPC471191
Intermediate Similarity 0.7351 NPC470677
Intermediate Similarity 0.7349 NPC218268
Intermediate Similarity 0.7348 NPC262338
Intermediate Similarity 0.7345 NPC100104
Intermediate Similarity 0.7345 NPC470680
Intermediate Similarity 0.7344 NPC472116
Intermediate Similarity 0.7337 NPC213468
Intermediate Similarity 0.7333 NPC317430
Intermediate Similarity 0.7321 NPC312092
Intermediate Similarity 0.732 NPC74413
Intermediate Similarity 0.732 NPC477004
Intermediate Similarity 0.7314 NPC38736
Intermediate Similarity 0.7312 NPC19679
Intermediate Similarity 0.731 NPC88115
Intermediate Similarity 0.731 NPC204141
Intermediate Similarity 0.7308 NPC472123
Intermediate Similarity 0.7297 NPC91179
Intermediate Similarity 0.7297 NPC469896
Intermediate Similarity 0.7293 NPC474897
Intermediate Similarity 0.7288 NPC41257
Intermediate Similarity 0.7287 NPC160381
Intermediate Similarity 0.7283 NPC37548
Intermediate Similarity 0.7283 NPC15573
Intermediate Similarity 0.7283 NPC183662
Intermediate Similarity 0.7283 NPC234987
Intermediate Similarity 0.7283 NPC217372
Intermediate Similarity 0.7282 NPC252338
Intermediate Similarity 0.7278 NPC284635
Intermediate Similarity 0.7273 NPC228835
Intermediate Similarity 0.7268 NPC37423
Intermediate Similarity 0.7268 NPC275305
Intermediate Similarity 0.7264 NPC72956
Intermediate Similarity 0.7263 NPC154339
Intermediate Similarity 0.7263 NPC265100
Intermediate Similarity 0.7257 NPC325903
Intermediate Similarity 0.7254 NPC245916
Intermediate Similarity 0.7247 NPC44773
Intermediate Similarity 0.7247 NPC215584
Intermediate Similarity 0.7245 NPC471944
Intermediate Similarity 0.7243 NPC11126
Intermediate Similarity 0.7243 NPC219336
Intermediate Similarity 0.7241 NPC473878
Intermediate Similarity 0.7241 NPC53947
Intermediate Similarity 0.724 NPC267343
Intermediate Similarity 0.7232 NPC216643
Intermediate Similarity 0.7228 NPC153980
Intermediate Similarity 0.7228 NPC6865
Intermediate Similarity 0.7225 NPC477134
Intermediate Similarity 0.7219 NPC110126
Intermediate Similarity 0.7219 NPC73767
Intermediate Similarity 0.7214 NPC471304
Intermediate Similarity 0.7209 NPC314372
Intermediate Similarity 0.7208 NPC106757
Intermediate Similarity 0.7208 NPC260900
Intermediate Similarity 0.7207 NPC478185
Intermediate Similarity 0.7207 NPC242116
Intermediate Similarity 0.7204 NPC15840
Intermediate Similarity 0.7202 NPC105127
Intermediate Similarity 0.7196 NPC94752
Intermediate Similarity 0.7196 NPC99428
Intermediate Similarity 0.7196 NPC66210
Intermediate Similarity 0.7193 NPC136002
Intermediate Similarity 0.7193 NPC190296
Intermediate Similarity 0.7191 NPC135141
Intermediate Similarity 0.7191 NPC92796
Intermediate Similarity 0.7189 NPC68354
Intermediate Similarity 0.7189 NPC145885
Intermediate Similarity 0.7189 NPC84827
Intermediate Similarity 0.7189 NPC14113
Intermediate Similarity 0.7188 NPC55493
Intermediate Similarity 0.7188 NPC471386
Intermediate Similarity 0.7184 NPC124005
Intermediate Similarity 0.7184 NPC187951
Intermediate Similarity 0.7182 NPC56233
Intermediate Similarity 0.7182 NPC114637
Intermediate Similarity 0.7181 NPC110158
Intermediate Similarity 0.7181 NPC472294
Intermediate Similarity 0.7179 NPC52557
Intermediate Similarity 0.7176 NPC469779

Drug Structure

External Identifiers

TTD   DIB011453
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  380.17
ALogP  -0.3305
MLogP  3.44
XLogP  4.614
HDA  3
HBD  1
Rotatable Bonds  7
TPSA  36.1
RO5 Violation  0