Drug ID:   | NPD7024 |
Drug Name:   | |
Molecular Formula:   | C28H30N4O |
Canonical SMILES:   | N#Cc1ccc2c(c1)CCN(C2)CCC1CCC(CC1)NC(=O)c1ccnc2c1cccc2 |
Standard InCHI:   | InChI=1S/C28H30N4O/c29-18-21-5-8-23-19-32(16-13-22(23)17-21)15-12-20-6-9-24(10-7-20)31-28(33)26-11-14-30-27-4-2-1-3-25(26)27/h1-5,8,11,14,17,20,24H,6-7,9-10,12-13,15-16,19H2,(H,31,33) |
Standard InCHIKey:   | OLWRVVHPJFLNPW-UHFFFAOYSA-N |
Max Developmental Stage:   | Clinical (unspecified phase) |
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 | 0.8073 | NPC34837 |
Intermediate Similarity | 0.8033 | NPC237188 |
Intermediate Similarity | 0.7957 | NPC470205 |
Intermediate Similarity | 0.7819 | NPC467063 |
Intermediate Similarity | 0.7749 | NPC103119 |
Intermediate Similarity | 0.7742 | NPC157583 |
Intermediate Similarity | 0.7725 | NPC477003 |
Intermediate Similarity | 0.772 | NPC216550 |
Intermediate Similarity | 0.7684 | NPC99939 |
Intermediate Similarity | 0.7684 | NPC308931 |
Intermediate Similarity | 0.7668 | NPC476460 |
Intermediate Similarity | 0.7644 | NPC141612 |
Intermediate Similarity | 0.7644 | NPC135601 |
Intermediate Similarity | 0.7644 | NPC17273 |
Intermediate Similarity | 0.7569 | NPC56765 |
Intermediate Similarity | 0.7554 | NPC56233 |
Intermediate Similarity | 0.7553 | NPC284775 |
Intermediate Similarity | 0.7512 | NPC317701 |
Intermediate Similarity | 0.75 | NPC133003 |
Intermediate Similarity | 0.7474 | NPC255909 |
Intermediate Similarity | 0.7459 | NPC114637 |
Intermediate Similarity | 0.7449 | NPC272458 |
Intermediate Similarity | 0.7448 | NPC21429 |
Intermediate Similarity | 0.7447 | NPC293216 |
Intermediate Similarity | 0.7433 | NPC201634 |
Intermediate Similarity | 0.7419 | NPC70949 |
Intermediate Similarity | 0.7411 | NPC304203 |
Intermediate Similarity | 0.7411 | NPC326422 |
Intermediate Similarity | 0.7405 | NPC42372 |
Intermediate Similarity | 0.7377 | NPC206819 |
Intermediate Similarity | 0.7377 | NPC318065 |
Intermediate Similarity | 0.7377 | NPC41257 |
Intermediate Similarity | 0.7371 | NPC94752 |
Intermediate Similarity | 0.736 | NPC47190 |
Intermediate Similarity | 0.7358 | NPC228835 |
Intermediate Similarity | 0.7351 | NPC265100 |
Intermediate Similarity | 0.7351 | NPC478182 |
Intermediate Similarity | 0.7351 | NPC21174 |
Intermediate Similarity | 0.7351 | NPC90723 |
Intermediate Similarity | 0.7351 | NPC271797 |
Intermediate Similarity | 0.7343 | NPC72956 |
Intermediate Similarity | 0.7337 | NPC44773 |
Intermediate Similarity | 0.7337 | NPC215584 |
Intermediate Similarity | 0.7337 | NPC128244 |
Intermediate Similarity | 0.733 | NPC11126 |
Intermediate Similarity | 0.7308 | NPC6865 |
Intermediate Similarity | 0.7308 | NPC153980 |
Intermediate Similarity | 0.7302 | NPC161861 |
Intermediate Similarity | 0.73 | NPC167710 |
Intermediate Similarity | 0.7299 | NPC314102 |
Intermediate Similarity | 0.7299 | NPC251722 |
Intermediate Similarity | 0.7297 | NPC194881 |
Intermediate Similarity | 0.7287 | NPC194411 |
Intermediate Similarity | 0.7283 | NPC293487 |
Intermediate Similarity | 0.7273 | NPC471386 |
Intermediate Similarity | 0.7259 | NPC324091 |
Intermediate Similarity | 0.7258 | NPC478184 |
Intermediate Similarity | 0.7257 | NPC169433 |
Intermediate Similarity | 0.7254 | NPC470677 |
Intermediate Similarity | 0.7254 | NPC191415 |
Intermediate Similarity | 0.7241 | NPC300183 |
Intermediate Similarity | 0.7228 | NPC193740 |
Intermediate Similarity | 0.7228 | NPC286427 |
Intermediate Similarity | 0.7228 | NPC477004 |
Intermediate Similarity | 0.7228 | NPC167635 |
Intermediate Similarity | 0.7225 | NPC471193 |
Intermediate Similarity | 0.7225 | NPC471194 |
Intermediate Similarity | 0.7216 | NPC102755 |
Intermediate Similarity | 0.7204 | NPC471192 |
Intermediate Similarity | 0.72 | NPC157828 |
Intermediate Similarity | 0.72 | NPC195239 |
Intermediate Similarity | 0.7189 | NPC80681 |
Intermediate Similarity | 0.7189 | NPC476491 |
Intermediate Similarity | 0.7181 | NPC478183 |
Intermediate Similarity | 0.7174 | NPC51054 |
Intermediate Similarity | 0.7173 | NPC37423 |
Intermediate Similarity | 0.7173 | NPC275305 |
Intermediate Similarity | 0.7164 | NPC11445 |
Intermediate Similarity | 0.7157 | NPC17059 |
Intermediate Similarity | 0.715 | NPC213468 |
Intermediate Similarity | 0.715 | NPC176199 |
Intermediate Similarity | 0.715 | NPC215795 |
Intermediate Similarity | 0.7143 | NPC153123 |
Intermediate Similarity | 0.7143 | NPC201266 |
Intermediate Similarity | 0.7143 | NPC220797 |
Intermediate Similarity | 0.7143 | NPC474318 |
Intermediate Similarity | 0.7143 | NPC475914 |
Intermediate Similarity | 0.7143 | NPC268744 |
Intermediate Similarity | 0.7135 | NPC280852 |
Intermediate Similarity | 0.7135 | NPC76982 |
Intermediate Similarity | 0.7113 | NPC477042 |
Intermediate Similarity | 0.7112 | NPC242116 |
Intermediate Similarity | 0.7112 | NPC478185 |
Intermediate Similarity | 0.7108 | NPC166209 |
Intermediate Similarity | 0.7108 | NPC77241 |
Intermediate Similarity | 0.7108 | NPC269203 |
Intermediate Similarity | 0.7108 | NPC13456 |
Intermediate Similarity | 0.7104 | NPC70406 |
Intermediate Similarity | 0.7104 | NPC470233 |
Intermediate Similarity | 0.7098 | NPC68354 |
Intermediate Similarity | 0.7079 | NPC279081 |
Intermediate Similarity | 0.7079 | NPC230002 |
Intermediate Similarity | 0.7078 | NPC56109 |
Intermediate Similarity | 0.7078 | NPC191382 |
Intermediate Similarity | 0.7065 | NPC200214 |
Intermediate Similarity | 0.7056 | NPC477714 |
Intermediate Similarity | 0.7051 | NPC476817 |
Intermediate Similarity | 0.7049 | NPC33421 |
Intermediate Similarity | 0.7039 | NPC328318 |
Intermediate Similarity | 0.7039 | NPC328596 |
Intermediate Similarity | 0.7035 | NPC473666 |
Intermediate Similarity | 0.7026 | NPC16659 |
Intermediate Similarity | 0.7017 | NPC470440 |
Intermediate Similarity | 0.7016 | NPC471943 |
Intermediate Similarity | 0.7016 | NPC32534 |
Intermediate Similarity | 0.7009 | NPC477715 |
Intermediate Similarity | 0.7006 | NPC150259 |
Intermediate Similarity | 0.7006 | NPC65408 |
Intermediate Similarity | 0.7005 | NPC475990 |
Intermediate Similarity | 0.7005 | NPC474880 |
Intermediate Similarity | 0.7005 | NPC221786 |
Intermediate Similarity | 0.7 | NPC95783 |
Remote Similarity | 0.6995 | NPC469529 |
Remote Similarity | 0.6995 | NPC139763 |
Remote Similarity | 0.6974 | NPC248462 |
Remote Similarity | 0.6974 | NPC265710 |
Remote Similarity | 0.6973 | NPC251391 |
Remote Similarity | 0.6973 | NPC325903 |
Remote Similarity | 0.6971 | NPC88115 |
Remote Similarity | 0.6971 | NPC327592 |
Remote Similarity | 0.6965 | NPC473763 |
Remote Similarity | 0.6965 | NPC117244 |
Remote Similarity | 0.6963 | NPC470731 |
Remote Similarity | 0.6961 | NPC227582 |
Remote Similarity | 0.6957 | NPC53947 |
Remote Similarity | 0.6957 | NPC40070 |
Remote Similarity | 0.6952 | NPC216643 |
Remote Similarity | 0.695 | NPC321708 |
Remote Similarity | 0.695 | NPC213629 |
Remote Similarity | 0.694 | NPC21605 |
Remote Similarity | 0.6938 | NPC472064 |
Remote Similarity | 0.6938 | NPC317373 |
Remote Similarity | 0.6927 | NPC312942 |
Remote Similarity | 0.6927 | NPC327095 |
Remote Similarity | 0.6927 | NPC73767 |
Remote Similarity | 0.6927 | NPC265576 |
Remote Similarity | 0.6927 | NPC131887 |
Remote Similarity | 0.6927 | NPC91895 |
Remote Similarity | 0.6923 | NPC98715 |
Remote Similarity | 0.6923 | NPC473380 |
Remote Similarity | 0.6923 | NPC145885 |
Remote Similarity | 0.6923 | NPC84827 |
Remote Similarity | 0.6923 | NPC314372 |
Remote Similarity | 0.6923 | NPC14113 |
Remote Similarity | 0.6923 | NPC240088 |
Remote Similarity | 0.6923 | NPC467188 |
Remote Similarity | 0.6919 | NPC110158 |
Remote Similarity | 0.6915 | NPC135141 |
Remote Similarity | 0.6915 | NPC92796 |
Remote Similarity | 0.6912 | NPC245916 |
Remote Similarity | 0.6906 | NPC190296 |
Remote Similarity | 0.6906 | NPC49547 |
Remote Similarity | 0.6905 | NPC54420 |
Remote Similarity | 0.6905 | NPC477065 |
Remote Similarity | 0.6898 | NPC473310 |
Remote Similarity | 0.6895 | NPC40455 |
Remote Similarity | 0.6893 | NPC237414 |
Remote Similarity | 0.6893 | NPC74413 |
Remote Similarity | 0.6889 | NPC469768 |
Remote Similarity | 0.6889 | NPC469779 |
Remote Similarity | 0.6889 | NPC469780 |
Remote Similarity | 0.6889 | NPC469767 |
Remote Similarity | 0.6889 | NPC469761 |
Remote Similarity | 0.6889 | NPC469784 |
Remote Similarity | 0.6889 | NPC469783 |
Remote Similarity | 0.6887 | NPC470020 |
Remote Similarity | 0.6885 | NPC288838 |
Remote Similarity | 0.6882 | NPC200743 |
Remote Similarity | 0.6878 | NPC229173 |
Remote Similarity | 0.6875 | NPC106757 |
Remote Similarity | 0.6875 | NPC476073 |
Remote Similarity | 0.6875 | NPC63751 |
Remote Similarity | 0.6869 | NPC117027 |
Remote Similarity | 0.6865 | NPC24678 |
Remote Similarity | 0.6865 | NPC105818 |
Remote Similarity | 0.6863 | NPC294693 |
Remote Similarity | 0.686 | NPC252338 |
Remote Similarity | 0.6859 | NPC71132 |
Remote Similarity | 0.6857 | NPC282398 |
Remote Similarity | 0.6856 | NPC477976 |
Remote Similarity | 0.6856 | NPC142385 |
Remote Similarity | 0.6854 | NPC96102 |
Remote Similarity | 0.6853 | NPC24864 |
Remote Similarity | 0.6853 | NPC73994 |
Remote Similarity | 0.6853 | NPC88110 |
Remote Similarity | 0.6851 | NPC469766 |
Remote Similarity | 0.6849 | NPC155444 |
Remote Similarity | 0.6848 | NPC477134 |
Remote Similarity | 0.6848 | NPC105811 |
Remote Similarity | 0.6848 | NPC469811 |
Molecular Weight   | 438.24 |
ALogP   | -1.0058 |
MLogP   | 3.99 |
XLogP   | 5.217 |
HDA   | 5 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 69.02 |
RO5 Violation   | 1 |