Drug ID:   | NPD5505 |
Drug Name:   | FK-352 |
Molecular Formula:   | C23H23N3O3 |
Canonical SMILES:   | OC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1 |
Standard InCHI:   | InChI=1S/C23H23N3O3/c27-21(25-14-6-4-10-18(25)16-22(28)29)13-12-19-20-11-5-7-15-26(20)24-23(19)17-8-2-1-3-9-17/h1-3,5,7-9,11-13,15,18H,4,6,10,14,16H2,(H,28,29)/b13-12+/t18-/m1/s1 |
Standard InCHIKey:   | UWTYIJJJSYDUQM-QFQMRYFISA-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 | 0.7784 | NPC248462 |
Intermediate Similarity | 0.7784 | NPC474916 |
Intermediate Similarity | 0.7717 | NPC469938 |
Intermediate Similarity | 0.7637 | NPC56233 |
Intermediate Similarity | 0.7565 | NPC473763 |
Intermediate Similarity | 0.7565 | NPC117244 |
Intermediate Similarity | 0.754 | NPC64436 |
Intermediate Similarity | 0.754 | NPC157583 |
Intermediate Similarity | 0.7527 | NPC478182 |
Intermediate Similarity | 0.7461 | NPC321708 |
Intermediate Similarity | 0.746 | NPC24864 |
Intermediate Similarity | 0.7459 | NPC293487 |
Intermediate Similarity | 0.7448 | NPC94752 |
Intermediate Similarity | 0.7448 | NPC62749 |
Intermediate Similarity | 0.7435 | NPC228835 |
Intermediate Similarity | 0.7433 | NPC203468 |
Intermediate Similarity | 0.7433 | NPC110500 |
Intermediate Similarity | 0.7433 | NPC149155 |
Intermediate Similarity | 0.7418 | NPC476491 |
Intermediate Similarity | 0.7409 | NPC472323 |
Intermediate Similarity | 0.7407 | NPC213468 |
Intermediate Similarity | 0.7405 | NPC78020 |
Intermediate Similarity | 0.7394 | NPC267885 |
Intermediate Similarity | 0.7384 | NPC65408 |
Intermediate Similarity | 0.7368 | NPC15840 |
Intermediate Similarity | 0.7363 | NPC328596 |
Intermediate Similarity | 0.7363 | NPC328318 |
Intermediate Similarity | 0.7351 | NPC114637 |
Intermediate Similarity | 0.7351 | NPC478183 |
Intermediate Similarity | 0.734 | NPC238457 |
Intermediate Similarity | 0.7337 | NPC478184 |
Intermediate Similarity | 0.733 | NPC72956 |
Intermediate Similarity | 0.732 | NPC17059 |
Intermediate Similarity | 0.7316 | NPC248041 |
Intermediate Similarity | 0.7316 | NPC283219 |
Intermediate Similarity | 0.7316 | NPC126709 |
Intermediate Similarity | 0.7316 | NPC11126 |
Intermediate Similarity | 0.7295 | NPC6865 |
Intermediate Similarity | 0.7295 | NPC153980 |
Intermediate Similarity | 0.7283 | NPC478185 |
Intermediate Similarity | 0.7282 | NPC255909 |
Intermediate Similarity | 0.7277 | NPC57398 |
Intermediate Similarity | 0.7273 | NPC32534 |
Intermediate Similarity | 0.7268 | NPC478077 |
Intermediate Similarity | 0.7268 | NPC235684 |
Intermediate Similarity | 0.7263 | NPC237188 |
Intermediate Similarity | 0.7263 | NPC145885 |
Intermediate Similarity | 0.7263 | NPC14113 |
Intermediate Similarity | 0.7263 | NPC84827 |
Intermediate Similarity | 0.726 | NPC317752 |
Intermediate Similarity | 0.7255 | NPC317373 |
Intermediate Similarity | 0.7254 | NPC472119 |
Intermediate Similarity | 0.7254 | NPC470003 |
Intermediate Similarity | 0.7249 | NPC471579 |
Intermediate Similarity | 0.724 | NPC113626 |
Intermediate Similarity | 0.7231 | NPC278434 |
Intermediate Similarity | 0.7228 | NPC471944 |
Intermediate Similarity | 0.7228 | NPC300183 |
Intermediate Similarity | 0.7222 | NPC40070 |
Intermediate Similarity | 0.7214 | NPC293917 |
Intermediate Similarity | 0.7213 | NPC129721 |
Intermediate Similarity | 0.7212 | NPC318299 |
Intermediate Similarity | 0.7212 | NPC471193 |
Intermediate Similarity | 0.7212 | NPC471194 |
Intermediate Similarity | 0.7206 | NPC327592 |
Intermediate Similarity | 0.7202 | NPC143533 |
Intermediate Similarity | 0.7194 | NPC175474 |
Intermediate Similarity | 0.719 | NPC471192 |
Intermediate Similarity | 0.7189 | NPC194881 |
Intermediate Similarity | 0.7173 | NPC14325 |
Intermediate Similarity | 0.7173 | NPC111275 |
Intermediate Similarity | 0.7173 | NPC28848 |
Intermediate Similarity | 0.7165 | NPC467063 |
Intermediate Similarity | 0.7165 | NPC477003 |
Intermediate Similarity | 0.7165 | NPC258480 |
Intermediate Similarity | 0.715 | NPC478158 |
Intermediate Similarity | 0.715 | NPC245916 |
Intermediate Similarity | 0.7135 | NPC55772 |
Intermediate Similarity | 0.7129 | NPC75634 |
Intermediate Similarity | 0.7129 | NPC81535 |
Intermediate Similarity | 0.7128 | NPC282103 |
Intermediate Similarity | 0.7128 | NPC308931 |
Intermediate Similarity | 0.7128 | NPC63751 |
Intermediate Similarity | 0.7128 | NPC99939 |
Intermediate Similarity | 0.7123 | NPC281049 |
Intermediate Similarity | 0.7122 | NPC473376 |
Intermediate Similarity | 0.7121 | NPC476460 |
Intermediate Similarity | 0.7114 | NPC227582 |
Intermediate Similarity | 0.7107 | NPC63199 |
Intermediate Similarity | 0.7107 | NPC196251 |
Intermediate Similarity | 0.7107 | NPC213629 |
Intermediate Similarity | 0.7107 | NPC111602 |
Intermediate Similarity | 0.7107 | NPC102338 |
Intermediate Similarity | 0.7105 | NPC477976 |
Intermediate Similarity | 0.7105 | NPC161861 |
Intermediate Similarity | 0.71 | NPC157828 |
Intermediate Similarity | 0.71 | NPC195239 |
Intermediate Similarity | 0.7095 | NPC234078 |
Intermediate Similarity | 0.7095 | NPC221100 |
Intermediate Similarity | 0.7092 | NPC118084 |
Intermediate Similarity | 0.7092 | NPC17273 |
Intermediate Similarity | 0.7092 | NPC141612 |
Intermediate Similarity | 0.7092 | NPC66210 |
Intermediate Similarity | 0.7092 | NPC135601 |
Intermediate Similarity | 0.709 | NPC91895 |
Intermediate Similarity | 0.7083 | NPC234987 |
Intermediate Similarity | 0.7079 | NPC52557 |
Intermediate Similarity | 0.7079 | NPC212213 |
Intermediate Similarity | 0.7079 | NPC131887 |
Intermediate Similarity | 0.7077 | NPC207851 |
Intermediate Similarity | 0.7074 | NPC41717 |
Intermediate Similarity | 0.7068 | NPC469529 |
Intermediate Similarity | 0.7065 | NPC472116 |
Intermediate Similarity | 0.7065 | NPC11445 |
Intermediate Similarity | 0.7062 | NPC478157 |
Intermediate Similarity | 0.7049 | NPC469760 |
Intermediate Similarity | 0.7049 | NPC469763 |
Intermediate Similarity | 0.7049 | NPC73952 |
Intermediate Similarity | 0.7049 | NPC469765 |
Intermediate Similarity | 0.7049 | NPC259644 |
Intermediate Similarity | 0.7049 | NPC469786 |
Intermediate Similarity | 0.7049 | NPC25008 |
Intermediate Similarity | 0.7047 | NPC12649 |
Intermediate Similarity | 0.7041 | NPC133003 |
Intermediate Similarity | 0.7041 | NPC280290 |
Intermediate Similarity | 0.7035 | NPC472097 |
Intermediate Similarity | 0.7035 | NPC129909 |
Intermediate Similarity | 0.7027 | NPC477887 |
Intermediate Similarity | 0.7027 | NPC469762 |
Intermediate Similarity | 0.7026 | NPC159125 |
Intermediate Similarity | 0.7026 | NPC470205 |
Intermediate Similarity | 0.7024 | NPC476874 |
Intermediate Similarity | 0.7015 | NPC57994 |
Intermediate Similarity | 0.7015 | NPC289299 |
Intermediate Similarity | 0.7011 | NPC212376 |
Intermediate Similarity | 0.7011 | NPC75540 |
Intermediate Similarity | 0.7011 | NPC80597 |
Intermediate Similarity | 0.7011 | NPC70922 |
Intermediate Similarity | 0.7011 | NPC211572 |
Intermediate Similarity | 0.701 | NPC73994 |
Intermediate Similarity | 0.701 | NPC252338 |
Intermediate Similarity | 0.7005 | NPC242116 |
Intermediate Similarity | 0.7 | NPC216550 |
Intermediate Similarity | 0.7 | NPC86288 |
Remote Similarity | 0.6995 | NPC183662 |
Remote Similarity | 0.6995 | NPC59269 |
Remote Similarity | 0.6995 | NPC15573 |
Remote Similarity | 0.6995 | NPC239954 |
Remote Similarity | 0.6995 | NPC470233 |
Remote Similarity | 0.6995 | NPC217372 |
Remote Similarity | 0.699 | NPC200836 |
Remote Similarity | 0.699 | NPC46895 |
Remote Similarity | 0.699 | NPC53144 |
Remote Similarity | 0.699 | NPC317701 |
Remote Similarity | 0.699 | NPC165495 |
Remote Similarity | 0.6985 | NPC329858 |
Remote Similarity | 0.6985 | NPC314333 |
Remote Similarity | 0.6985 | NPC83111 |
Remote Similarity | 0.6984 | NPC474561 |
Remote Similarity | 0.6984 | NPC49954 |
Remote Similarity | 0.6974 | NPC71037 |
Remote Similarity | 0.6973 | NPC469785 |
Remote Similarity | 0.6971 | NPC54420 |
Remote Similarity | 0.6968 | NPC265100 |
Remote Similarity | 0.6966 | NPC238499 |
Remote Similarity | 0.6965 | NPC198673 |
Remote Similarity | 0.6961 | NPC192674 |
Remote Similarity | 0.6959 | NPC219336 |
Remote Similarity | 0.6959 | NPC476817 |
Remote Similarity | 0.6954 | NPC79062 |
Remote Similarity | 0.6954 | NPC472107 |
Remote Similarity | 0.6952 | NPC279918 |
Remote Similarity | 0.6952 | NPC309845 |
Remote Similarity | 0.6951 | NPC477549 |
Remote Similarity | 0.695 | NPC138370 |
Remote Similarity | 0.6946 | NPC90229 |
Remote Similarity | 0.6946 | NPC167710 |
Remote Similarity | 0.6946 | NPC262898 |
Remote Similarity | 0.6943 | NPC203754 |
Remote Similarity | 0.6943 | NPC150048 |
Remote Similarity | 0.6942 | NPC211813 |
Remote Similarity | 0.6942 | NPC193761 |
Remote Similarity | 0.6935 | NPC103119 |
Remote Similarity | 0.6931 | NPC220151 |
Remote Similarity | 0.6931 | NPC202812 |
Remote Similarity | 0.6931 | NPC19692 |
Remote Similarity | 0.6923 | NPC61011 |
Remote Similarity | 0.6923 | NPC91179 |
Remote Similarity | 0.6923 | NPC472064 |
Remote Similarity | 0.6919 | NPC315555 |
Remote Similarity | 0.6919 | NPC311858 |
Remote Similarity | 0.6915 | NPC59779 |
Remote Similarity | 0.6915 | NPC124542 |
Remote Similarity | 0.6915 | NPC282231 |
Remote Similarity | 0.6915 | NPC471177 |
Remote Similarity | 0.6912 | NPC171317 |
Remote Similarity | 0.6912 | NPC67288 |
Remote Similarity | 0.6912 | NPC50503 |
Remote Similarity | 0.6912 | NPC168911 |
Remote Similarity | 0.6907 | NPC284775 |
TTD   | DIB008335 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 389.17 |
ALogP   | -1.3683 |
MLogP   | 3.33 |
XLogP   | 4.794 |
HDA   | 6 |
HBD   | 1 |
Rotatable Bonds   | 7 |
TPSA   | 74.91 |
RO5 Violation   | 0 |