Drug ID:   | NPD3323 |
Drug Name:   | CY-208243 |
Molecular Formula:   | C19H18N2 |
Canonical SMILES:   | CN1Cc2ccccc2[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 |
Standard InCHI:   | InChI=1S/C19H18N2/c1-21-11-12-5-2-3-6-14(12)19-15-7-4-8-16-18(15)13(10-20-16)9-17(19)21/h2-8,10,17,19-20H,9,11H2,1H3/t17-,19-/m1/s1 |
Standard InCHIKey:   | WRNKIDLXXXIELU-IEBWSBKVSA-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 |
---|---|---|
High Similarity | 0.9799 | NPC56765 |
High Similarity | 0.9536 | NPC318065 |
High Similarity | 0.9536 | NPC206819 |
High Similarity | 0.9408 | NPC41257 |
High Similarity | 0.9226 | NPC90723 |
High Similarity | 0.9221 | NPC44773 |
High Similarity | 0.9221 | NPC215584 |
High Similarity | 0.9216 | NPC286427 |
High Similarity | 0.9139 | NPC33421 |
High Similarity | 0.8994 | NPC194411 |
High Similarity | 0.8827 | NPC275305 |
High Similarity | 0.8827 | NPC37423 |
High Similarity | 0.8792 | NPC73767 |
High Similarity | 0.878 | NPC176199 |
High Similarity | 0.878 | NPC215795 |
High Similarity | 0.8766 | NPC53947 |
High Similarity | 0.8733 | NPC469779 |
High Similarity | 0.8733 | NPC469761 |
High Similarity | 0.8733 | NPC469768 |
High Similarity | 0.8733 | NPC469783 |
High Similarity | 0.8733 | NPC469767 |
High Similarity | 0.8733 | NPC469780 |
High Similarity | 0.8733 | NPC469784 |
High Similarity | 0.872 | NPC68354 |
High Similarity | 0.871 | NPC470233 |
High Similarity | 0.8675 | NPC469766 |
High Similarity | 0.8667 | NPC110126 |
High Similarity | 0.8662 | NPC51054 |
High Similarity | 0.8658 | NPC84911 |
High Similarity | 0.8654 | NPC325903 |
High Similarity | 0.8608 | NPC216643 |
High Similarity | 0.8591 | NPC96102 |
High Similarity | 0.8591 | NPC29886 |
High Similarity | 0.8591 | NPC261195 |
High Similarity | 0.8581 | NPC321911 |
High Similarity | 0.8571 | NPC288838 |
High Similarity | 0.8538 | NPC95783 |
High Similarity | 0.8533 | NPC251722 |
High Similarity | 0.8533 | NPC314102 |
High Similarity | 0.8533 | NPC105127 |
High Similarity | 0.8516 | NPC201380 |
High Similarity | 0.8516 | NPC179787 |
High Similarity | 0.8516 | NPC21605 |
High Similarity | 0.8516 | NPC469811 |
Intermediate Similarity | 0.8477 | NPC169433 |
Intermediate Similarity | 0.8452 | NPC63545 |
Intermediate Similarity | 0.8434 | NPC280852 |
Intermediate Similarity | 0.8431 | NPC473868 |
Intermediate Similarity | 0.8431 | NPC63157 |
Intermediate Similarity | 0.8421 | NPC312092 |
Intermediate Similarity | 0.8397 | NPC477134 |
Intermediate Similarity | 0.8387 | NPC314372 |
Intermediate Similarity | 0.8377 | NPC190296 |
Intermediate Similarity | 0.8366 | NPC59084 |
Intermediate Similarity | 0.8366 | NPC279081 |
Intermediate Similarity | 0.8344 | NPC325252 |
Intermediate Similarity | 0.8323 | NPC474880 |
Intermediate Similarity | 0.8323 | NPC475990 |
Intermediate Similarity | 0.8323 | NPC221786 |
Intermediate Similarity | 0.8322 | NPC82295 |
Intermediate Similarity | 0.8301 | NPC88097 |
Intermediate Similarity | 0.8291 | NPC105818 |
Intermediate Similarity | 0.8291 | NPC24678 |
Intermediate Similarity | 0.8282 | NPC317105 |
Intermediate Similarity | 0.8278 | NPC198988 |
Intermediate Similarity | 0.8253 | NPC201634 |
Intermediate Similarity | 0.8247 | NPC2949 |
Intermediate Similarity | 0.8247 | NPC230002 |
Intermediate Similarity | 0.8221 | NPC470203 |
Intermediate Similarity | 0.8217 | NPC143872 |
Intermediate Similarity | 0.821 | NPC135141 |
Intermediate Similarity | 0.821 | NPC92796 |
Intermediate Similarity | 0.82 | NPC475450 |
Intermediate Similarity | 0.8187 | NPC259644 |
Intermediate Similarity | 0.8187 | NPC469765 |
Intermediate Similarity | 0.8187 | NPC469786 |
Intermediate Similarity | 0.8187 | NPC25008 |
Intermediate Similarity | 0.8187 | NPC469763 |
Intermediate Similarity | 0.8187 | NPC469760 |
Intermediate Similarity | 0.8187 | NPC200214 |
Intermediate Similarity | 0.8187 | NPC73952 |
Intermediate Similarity | 0.8176 | NPC40070 |
Intermediate Similarity | 0.8165 | NPC471957 |
Intermediate Similarity | 0.816 | NPC229173 |
Intermediate Similarity | 0.816 | NPC470204 |
Intermediate Similarity | 0.816 | NPC122141 |
Intermediate Similarity | 0.8153 | NPC159856 |
Intermediate Similarity | 0.8148 | NPC236711 |
Intermediate Similarity | 0.8146 | NPC473930 |
Intermediate Similarity | 0.8137 | NPC70922 |
Intermediate Similarity | 0.8137 | NPC80597 |
Intermediate Similarity | 0.8137 | NPC212376 |
Intermediate Similarity | 0.8137 | NPC75540 |
Intermediate Similarity | 0.8137 | NPC211572 |
Intermediate Similarity | 0.8133 | NPC475428 |
Intermediate Similarity | 0.8133 | NPC282398 |
Intermediate Similarity | 0.8133 | NPC63751 |
Intermediate Similarity | 0.8133 | NPC201700 |
Intermediate Similarity | 0.8125 | NPC316359 |
Intermediate Similarity | 0.8125 | NPC315617 |
Intermediate Similarity | 0.8107 | NPC474958 |
Intermediate Similarity | 0.8079 | NPC179365 |
Intermediate Similarity | 0.8072 | NPC474561 |
Intermediate Similarity | 0.8072 | NPC49954 |
Intermediate Similarity | 0.807 | NPC300688 |
Intermediate Similarity | 0.8067 | NPC473587 |
Intermediate Similarity | 0.8059 | NPC151939 |
Intermediate Similarity | 0.8052 | NPC150259 |
Intermediate Similarity | 0.8037 | NPC193740 |
Intermediate Similarity | 0.8037 | NPC167635 |
Intermediate Similarity | 0.8025 | NPC34844 |
Intermediate Similarity | 0.8023 | NPC316018 |
Intermediate Similarity | 0.8023 | NPC314058 |
Intermediate Similarity | 0.8013 | NPC22079 |
Intermediate Similarity | 0.8013 | NPC115611 |
Intermediate Similarity | 0.8012 | NPC470823 |
Intermediate Similarity | 0.8 | NPC473762 |
Intermediate Similarity | 0.7988 | NPC6436 |
Intermediate Similarity | 0.7987 | NPC250361 |
Intermediate Similarity | 0.7987 | NPC218268 |
Intermediate Similarity | 0.7977 | NPC19679 |
Intermediate Similarity | 0.7975 | NPC469785 |
Intermediate Similarity | 0.7964 | NPC160105 |
Intermediate Similarity | 0.7963 | NPC141926 |
Intermediate Similarity | 0.7937 | NPC470111 |
Intermediate Similarity | 0.7929 | NPC82331 |
Intermediate Similarity | 0.7927 | NPC469762 |
Intermediate Similarity | 0.7925 | NPC204141 |
Intermediate Similarity | 0.7911 | NPC20144 |
Intermediate Similarity | 0.7901 | NPC216713 |
Intermediate Similarity | 0.7892 | NPC282231 |
Intermediate Similarity | 0.7882 | NPC477611 |
Intermediate Similarity | 0.787 | NPC474897 |
Intermediate Similarity | 0.7849 | NPC59269 |
Intermediate Similarity | 0.7844 | NPC311276 |
Intermediate Similarity | 0.7844 | NPC194640 |
Intermediate Similarity | 0.7831 | NPC279918 |
Intermediate Similarity | 0.7812 | NPC470440 |
Intermediate Similarity | 0.7805 | NPC476219 |
Intermediate Similarity | 0.7803 | NPC213468 |
Intermediate Similarity | 0.7802 | NPC265576 |
Intermediate Similarity | 0.7798 | NPC274229 |
Intermediate Similarity | 0.7785 | NPC46358 |
Intermediate Similarity | 0.7778 | NPC314603 |
Intermediate Similarity | 0.7759 | NPC314919 |
Intermediate Similarity | 0.7758 | NPC476464 |
Intermediate Similarity | 0.7747 | NPC229332 |
Intermediate Similarity | 0.774 | NPC94752 |
Intermediate Similarity | 0.7738 | NPC40779 |
Intermediate Similarity | 0.7738 | NPC21174 |
Intermediate Similarity | 0.7738 | NPC162799 |
Intermediate Similarity | 0.7738 | NPC271797 |
Intermediate Similarity | 0.7733 | NPC329688 |
Intermediate Similarity | 0.7733 | NPC27740 |
Intermediate Similarity | 0.7733 | NPC189812 |
Intermediate Similarity | 0.7722 | NPC47190 |
Intermediate Similarity | 0.7718 | NPC41174 |
Intermediate Similarity | 0.7709 | NPC231536 |
Intermediate Similarity | 0.7707 | NPC125746 |
Intermediate Similarity | 0.7697 | NPC476297 |
Intermediate Similarity | 0.7679 | NPC225018 |
Intermediate Similarity | 0.7674 | NPC313791 |
Intermediate Similarity | 0.7673 | NPC284635 |
Intermediate Similarity | 0.7661 | NPC97343 |
Intermediate Similarity | 0.7654 | NPC316069 |
Intermediate Similarity | 0.7651 | NPC184476 |
Intermediate Similarity | 0.7647 | NPC49217 |
Intermediate Similarity | 0.7647 | NPC54988 |
Intermediate Similarity | 0.7633 | NPC149265 |
Intermediate Similarity | 0.7633 | NPC478182 |
Intermediate Similarity | 0.7633 | NPC472587 |
Intermediate Similarity | 0.763 | NPC293216 |
Intermediate Similarity | 0.7627 | NPC228835 |
Intermediate Similarity | 0.7619 | NPC131718 |
Intermediate Similarity | 0.7616 | NPC122718 |
Intermediate Similarity | 0.7614 | NPC233936 |
Intermediate Similarity | 0.7614 | NPC307191 |
Intermediate Similarity | 0.761 | NPC104483 |
Intermediate Similarity | 0.76 | NPC11126 |
Intermediate Similarity | 0.7593 | NPC86288 |
Intermediate Similarity | 0.759 | NPC38736 |
Intermediate Similarity | 0.7588 | NPC17751 |
Intermediate Similarity | 0.7588 | NPC280864 |
Intermediate Similarity | 0.7584 | NPC15102 |
Intermediate Similarity | 0.7584 | NPC308931 |
Intermediate Similarity | 0.7584 | NPC99939 |
Intermediate Similarity | 0.7572 | NPC472123 |
Intermediate Similarity | 0.7566 | NPC146373 |
Intermediate Similarity | 0.7566 | NPC166424 |
Intermediate Similarity | 0.7566 | NPC245244 |
Intermediate Similarity | 0.7561 | NPC2272 |
Intermediate Similarity | 0.7561 | NPC37548 |
Intermediate Similarity | 0.756 | NPC230869 |
Intermediate Similarity | 0.7558 | NPC280548 |
Intermediate Similarity | 0.7543 | NPC248454 |
Intermediate Similarity | 0.7543 | NPC145885 |
Intermediate Similarity | 0.7543 | NPC84827 |
Intermediate Similarity | 0.7543 | NPC14113 |
Intermediate Similarity | 0.7543 | NPC284775 |
Intermediate Similarity | 0.7542 | NPC474707 |
TTD   | DIB015035 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 274.15 |
ALogP   | -0.4122 |
MLogP   | 3.33 |
XLogP   | 4.485 |
HDA   | 2 |
HBD   | 1 |
Rotatable Bonds   | 1 |
TPSA   | 19.03 |
RO5 Violation   | 0 |