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