Drug Information

Drug ID:  NPD2307
Drug Name:  CP-67015
Molecular Formula:  C17H12F2N2O3
Canonical SMILES:  CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F
Standard InCHI:  InChI=1S/C17H12F2N2O3/c1-2-21-8-11(17(23)24)16(22)10-7-12(18)13(14(19)15(10)21)9-3-5-20-6-4-9/h3-8H,2H2,1H3,(H,23,24)
Standard InCHIKey:  AVTJRMCCKOBMQP-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2307

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 0.8254 NPC202812
Intermediate Similarity 0.7872 NPC285923
Intermediate Similarity 0.7772 NPC318183
Intermediate Similarity 0.7755 NPC474916
Intermediate Similarity 0.7688 NPC57398
Intermediate Similarity 0.7663 NPC70949
Intermediate Similarity 0.7594 NPC139763
Intermediate Similarity 0.7566 NPC248462
Intermediate Similarity 0.75 NPC207851
Intermediate Similarity 0.75 NPC469529
Intermediate Similarity 0.7475 NPC472116
Intermediate Similarity 0.7474 NPC164340
Intermediate Similarity 0.7448 NPC159125
Intermediate Similarity 0.7438 NPC314648
Intermediate Similarity 0.7427 NPC309845
Intermediate Similarity 0.7426 NPC328318
Intermediate Similarity 0.7426 NPC328596
Intermediate Similarity 0.7418 NPC229893
Intermediate Similarity 0.7405 NPC265100
Intermediate Similarity 0.7398 NPC83111
Intermediate Similarity 0.7398 NPC154339
Intermediate Similarity 0.7385 NPC278434
Intermediate Similarity 0.7382 NPC55772
Intermediate Similarity 0.7374 NPC267343
Intermediate Similarity 0.7363 NPC81535
Intermediate Similarity 0.735 NPC90229
Intermediate Similarity 0.7347 NPC44354
Intermediate Similarity 0.7344 NPC73994
Intermediate Similarity 0.7333 NPC62749
Intermediate Similarity 0.733 NPC157583
Intermediate Similarity 0.733 NPC111275
Intermediate Similarity 0.7326 NPC41717
Intermediate Similarity 0.7323 NPC216550
Intermediate Similarity 0.7321 NPC317752
Intermediate Similarity 0.7317 NPC313796
Intermediate Similarity 0.7317 NPC313345
Intermediate Similarity 0.7317 NPC314855
Intermediate Similarity 0.7317 NPC317373
Intermediate Similarity 0.7317 NPC315638
Intermediate Similarity 0.7296 NPC472323
Intermediate Similarity 0.7291 NPC471944
Intermediate Similarity 0.7287 NPC78020
Intermediate Similarity 0.7282 NPC314297
Intermediate Similarity 0.7282 NPC282103
Intermediate Similarity 0.7282 NPC315545
Intermediate Similarity 0.7277 NPC267885
Intermediate Similarity 0.7273 NPC318299
Intermediate Similarity 0.7268 NPC327592
Intermediate Similarity 0.7268 NPC243058
Intermediate Similarity 0.7263 NPC167400
Intermediate Similarity 0.7254 NPC15840
Intermediate Similarity 0.7253 NPC70406
Intermediate Similarity 0.725 NPC220151
Intermediate Similarity 0.725 NPC19692
Intermediate Similarity 0.7236 NPC56170
Intermediate Similarity 0.7233 NPC238457
Intermediate Similarity 0.7231 NPC203635
Intermediate Similarity 0.7231 NPC46895
Intermediate Similarity 0.7225 NPC203468
Intermediate Similarity 0.7225 NPC110500
Intermediate Similarity 0.7225 NPC149155
Intermediate Similarity 0.7216 NPC113626
Intermediate Similarity 0.7211 NPC292265
Intermediate Similarity 0.7211 NPC249614
Intermediate Similarity 0.7202 NPC126709
Intermediate Similarity 0.7202 NPC248041
Intermediate Similarity 0.7189 NPC129721
Intermediate Similarity 0.7178 NPC227582
Intermediate Similarity 0.7178 NPC167710
Intermediate Similarity 0.7177 NPC314834
Intermediate Similarity 0.7172 NPC175474
Intermediate Similarity 0.7166 NPC242116
Intermediate Similarity 0.7165 NPC61011
Intermediate Similarity 0.7157 NPC235684
Intermediate Similarity 0.7157 NPC90415
Intermediate Similarity 0.7151 NPC80681
Intermediate Similarity 0.715 NPC64436
Intermediate Similarity 0.715 NPC219848
Intermediate Similarity 0.7143 NPC114637
Intermediate Similarity 0.7143 NPC258480
Intermediate Similarity 0.7129 NPC128244
Intermediate Similarity 0.7129 NPC472293
Intermediate Similarity 0.7121 NPC206186
Intermediate Similarity 0.712 NPC273532
Intermediate Similarity 0.712 NPC251391
Intermediate Similarity 0.7114 NPC269886
Intermediate Similarity 0.7114 NPC247735
Intermediate Similarity 0.7114 NPC472295
Intermediate Similarity 0.7114 NPC472210
Intermediate Similarity 0.7114 NPC81802
Intermediate Similarity 0.7113 NPC256268
Intermediate Similarity 0.7113 NPC283219
Intermediate Similarity 0.7111 NPC159630
Intermediate Similarity 0.7111 NPC230085
Intermediate Similarity 0.7109 NPC6865
Intermediate Similarity 0.7109 NPC153980
Intermediate Similarity 0.7108 NPC123395
Intermediate Similarity 0.7104 NPC313889
Intermediate Similarity 0.71 NPC473763
Intermediate Similarity 0.71 NPC138370
Intermediate Similarity 0.71 NPC117244
Intermediate Similarity 0.7098 NPC84347
Intermediate Similarity 0.7091 NPC116622
Intermediate Similarity 0.7088 NPC105811
Intermediate Similarity 0.7081 NPC263455
Intermediate Similarity 0.7081 NPC209362
Intermediate Similarity 0.7079 NPC135950
Intermediate Similarity 0.7079 NPC157828
Intermediate Similarity 0.7079 NPC195239
Intermediate Similarity 0.7079 NPC146724
Intermediate Similarity 0.7077 NPC24864
Intermediate Similarity 0.7077 NPC471997
Intermediate Similarity 0.7073 NPC252338
Intermediate Similarity 0.7072 NPC467188
Intermediate Similarity 0.7065 NPC472292
Intermediate Similarity 0.7062 NPC72956
Intermediate Similarity 0.7062 NPC82370
Intermediate Similarity 0.7062 NPC83774
Intermediate Similarity 0.7062 NPC284775
Intermediate Similarity 0.7062 NPC237188
Intermediate Similarity 0.7062 NPC234987
Intermediate Similarity 0.7062 NPC145885
Intermediate Similarity 0.7062 NPC14113
Intermediate Similarity 0.7062 NPC84827
Intermediate Similarity 0.7059 NPC131887
Intermediate Similarity 0.7056 NPC477003
Intermediate Similarity 0.7056 NPC467063
Intermediate Similarity 0.7047 NPC303225
Intermediate Similarity 0.7044 NPC11445
Intermediate Similarity 0.7041 NPC191415
Intermediate Similarity 0.7033 NPC193238
Intermediate Similarity 0.7028 NPC471194
Intermediate Similarity 0.7028 NPC471193
Intermediate Similarity 0.7027 NPC312860
Intermediate Similarity 0.7026 NPC219336
Intermediate Similarity 0.7026 NPC213468
Intermediate Similarity 0.7024 NPC472296
Intermediate Similarity 0.7024 NPC472297
Intermediate Similarity 0.7024 NPC103361
Intermediate Similarity 0.7021 NPC322644
Intermediate Similarity 0.7005 NPC143533
Intermediate Similarity 0.7 NPC111602
Intermediate Similarity 0.7 NPC321708
Intermediate Similarity 0.7 NPC102338
Intermediate Similarity 0.7 NPC183805
Intermediate Similarity 0.7 NPC196251
Intermediate Similarity 0.7 NPC63199
Intermediate Similarity 0.7 NPC221873
Intermediate Similarity 0.7 NPC255909
Remote Similarity 0.6995 NPC221100
Remote Similarity 0.6995 NPC477976
Remote Similarity 0.6995 NPC234078
Remote Similarity 0.6985 NPC118084
Remote Similarity 0.6985 NPC66210
Remote Similarity 0.6985 NPC315555
Remote Similarity 0.6977 NPC27041
Remote Similarity 0.6976 NPC67288
Remote Similarity 0.6976 NPC149708
Remote Similarity 0.6976 NPC52557
Remote Similarity 0.6974 NPC15573
Remote Similarity 0.6974 NPC183662
Remote Similarity 0.6974 NPC217372
Remote Similarity 0.6971 NPC98715
Remote Similarity 0.697 NPC472119
Remote Similarity 0.6967 NPC271862
Remote Similarity 0.6963 NPC237740
Remote Similarity 0.6961 NPC109922
Remote Similarity 0.6961 NPC245916
Remote Similarity 0.6959 NPC276657
Remote Similarity 0.6959 NPC469938
Remote Similarity 0.6959 NPC293216
Remote Similarity 0.6957 NPC123906
Remote Similarity 0.6948 NPC118940
Remote Similarity 0.6941 NPC57797
Remote Similarity 0.6941 NPC250807
Remote Similarity 0.6938 NPC472259
Remote Similarity 0.6935 NPC107287
Remote Similarity 0.6935 NPC472107
Remote Similarity 0.6935 NPC79062
Remote Similarity 0.6934 NPC470020
Remote Similarity 0.6933 NPC477549
Remote Similarity 0.6931 NPC476460
Remote Similarity 0.6931 NPC27904
Remote Similarity 0.6931 NPC114974
Remote Similarity 0.693 NPC477909
Remote Similarity 0.693 NPC471192
Remote Similarity 0.693 NPC42678
Remote Similarity 0.693 NPC477907
Remote Similarity 0.6927 NPC141454
Remote Similarity 0.6923 NPC74575
Remote Similarity 0.6923 NPC122968
Remote Similarity 0.6923 NPC228377
Remote Similarity 0.6923 NPC477787
Remote Similarity 0.6923 NPC328186
Remote Similarity 0.6919 NPC63041
Remote Similarity 0.6915 NPC213914
Remote Similarity 0.6912 NPC289299
Remote Similarity 0.6912 NPC216428
Remote Similarity 0.6912 NPC57994
Remote Similarity 0.6909 NPC473850

Drug Structure

External Identifiers

TTD   DIB015043
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  330.08
ALogP  0.5729
MLogP  2.56
XLogP  3.392
HDA  5
HBD  1
Rotatable Bonds  7
TPSA  70.5
RO5 Violation  0