Drug ID:   | NPD1658 |
Drug Name:   | KF-15570 |
Molecular Formula:   | C15H17N3O |
Canonical SMILES:   | CCCCn1c2ccccc2c2c(c1=O)ncn2C |
Standard InCHI:   | InChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h5-8,10H,3-4,9H2,1-2H3 |
Standard InCHIKey:   | CVLGNWUGFVTZRC-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 | 0.801 | NPC116555 |
Intermediate Similarity | 0.7903 | NPC476341 |
Intermediate Similarity | 0.7713 | NPC133003 |
Intermediate Similarity | 0.7696 | NPC267811 |
Intermediate Similarity | 0.7672 | NPC135601 |
Intermediate Similarity | 0.7672 | NPC17273 |
Intermediate Similarity | 0.7672 | NPC141612 |
Intermediate Similarity | 0.7663 | NPC469529 |
Intermediate Similarity | 0.7647 | NPC191415 |
Intermediate Similarity | 0.7644 | NPC324091 |
Intermediate Similarity | 0.7582 | NPC56233 |
Intermediate Similarity | 0.7566 | NPC21429 |
Intermediate Similarity | 0.7538 | NPC317701 |
Intermediate Similarity | 0.7527 | NPC151635 |
Intermediate Similarity | 0.7514 | NPC252572 |
Intermediate Similarity | 0.7513 | NPC102755 |
Intermediate Similarity | 0.7486 | NPC114637 |
Intermediate Similarity | 0.7382 | NPC477003 |
Intermediate Similarity | 0.7377 | NPC478182 |
Intermediate Similarity | 0.7377 | NPC478184 |
Intermediate Similarity | 0.7308 | NPC293487 |
Intermediate Similarity | 0.7287 | NPC317054 |
Intermediate Similarity | 0.7273 | NPC102592 |
Intermediate Similarity | 0.7273 | NPC128244 |
Intermediate Similarity | 0.7273 | NPC79356 |
Intermediate Similarity | 0.7263 | NPC265710 |
Intermediate Similarity | 0.725 | NPC81535 |
Intermediate Similarity | 0.7235 | NPC267078 |
Intermediate Similarity | 0.7235 | NPC935 |
Intermediate Similarity | 0.7228 | NPC194881 |
Intermediate Similarity | 0.7225 | NPC16659 |
Intermediate Similarity | 0.7225 | NPC73994 |
Intermediate Similarity | 0.7222 | NPC472260 |
Intermediate Similarity | 0.7202 | NPC474357 |
Intermediate Similarity | 0.7189 | NPC470323 |
Intermediate Similarity | 0.7172 | NPC326422 |
Intermediate Similarity | 0.7157 | NPC476460 |
Intermediate Similarity | 0.7143 | NPC161861 |
Intermediate Similarity | 0.7135 | NPC478185 |
Intermediate Similarity | 0.7128 | NPC91895 |
Intermediate Similarity | 0.7127 | NPC217021 |
Intermediate Similarity | 0.7127 | NPC470679 |
Intermediate Similarity | 0.712 | NPC473380 |
Intermediate Similarity | 0.712 | NPC240088 |
Intermediate Similarity | 0.712 | NPC83774 |
Intermediate Similarity | 0.7112 | NPC478183 |
Intermediate Similarity | 0.7095 | NPC478186 |
Intermediate Similarity | 0.7088 | NPC281094 |
Intermediate Similarity | 0.7079 | NPC237414 |
Intermediate Similarity | 0.7065 | NPC167710 |
Intermediate Similarity | 0.7059 | NPC57398 |
Intermediate Similarity | 0.7047 | NPC61011 |
Intermediate Similarity | 0.7043 | NPC242116 |
Intermediate Similarity | 0.7037 | NPC32534 |
Intermediate Similarity | 0.7031 | NPC157583 |
Intermediate Similarity | 0.7015 | NPC472116 |
Intermediate Similarity | 0.7005 | NPC265100 |
Intermediate Similarity | 0.7005 | NPC243850 |
Intermediate Similarity | 0.7 | NPC471194 |
Intermediate Similarity | 0.7 | NPC471193 |
Intermediate Similarity | 0.7 | NPC6865 |
Intermediate Similarity | 0.7 | NPC153980 |
Remote Similarity | 0.6995 | NPC248462 |
Remote Similarity | 0.6995 | NPC11126 |
Remote Similarity | 0.6984 | NPC70949 |
Remote Similarity | 0.698 | NPC134657 |
Remote Similarity | 0.6974 | NPC159125 |
Remote Similarity | 0.6959 | NPC88110 |
Remote Similarity | 0.6957 | NPC476297 |
Remote Similarity | 0.6957 | NPC476219 |
Remote Similarity | 0.6952 | NPC72956 |
Remote Similarity | 0.6946 | NPC474916 |
Remote Similarity | 0.6944 | NPC470440 |
Remote Similarity | 0.6943 | NPC284775 |
Remote Similarity | 0.694 | NPC117032 |
Remote Similarity | 0.6939 | NPC46895 |
Remote Similarity | 0.6935 | NPC80681 |
Remote Similarity | 0.6932 | NPC65408 |
Remote Similarity | 0.6912 | NPC477004 |
Remote Similarity | 0.691 | NPC238499 |
Remote Similarity | 0.6907 | NPC12649 |
Remote Similarity | 0.6901 | NPC177996 |
Remote Similarity | 0.6901 | NPC147983 |
Remote Similarity | 0.689 | NPC71238 |
Remote Similarity | 0.6888 | NPC470205 |
Remote Similarity | 0.6887 | NPC282247 |
Remote Similarity | 0.6885 | NPC473878 |
Remote Similarity | 0.6878 | NPC115232 |
Remote Similarity | 0.6872 | NPC40530 |
Remote Similarity | 0.6872 | NPC314281 |
Remote Similarity | 0.6872 | NPC24864 |
Remote Similarity | 0.6866 | NPC216550 |
Remote Similarity | 0.6863 | NPC474389 |
Remote Similarity | 0.6859 | NPC471943 |
Remote Similarity | 0.6856 | NPC234987 |
Remote Similarity | 0.6856 | NPC237188 |
Remote Similarity | 0.6853 | NPC285923 |
Remote Similarity | 0.6853 | NPC228835 |
Remote Similarity | 0.6833 | NPC69843 |
Remote Similarity | 0.6832 | NPC304203 |
Remote Similarity | 0.6825 | NPC271797 |
Remote Similarity | 0.6825 | NPC21174 |
Remote Similarity | 0.6822 | NPC471192 |
Remote Similarity | 0.6822 | NPC322064 |
Remote Similarity | 0.6818 | NPC99939 |
Remote Similarity | 0.6818 | NPC308931 |
Remote Similarity | 0.681 | NPC266249 |
Remote Similarity | 0.6809 | NPC100104 |
Remote Similarity | 0.6809 | NPC470204 |
Remote Similarity | 0.6809 | NPC470680 |
Remote Similarity | 0.68 | NPC255909 |
Remote Similarity | 0.6798 | NPC207554 |
Remote Similarity | 0.6792 | NPC54981 |
Remote Similarity | 0.6789 | NPC42372 |
Remote Similarity | 0.6782 | NPC272458 |
Remote Similarity | 0.6782 | NPC207428 |
Remote Similarity | 0.6776 | NPC470111 |
Remote Similarity | 0.6772 | NPC470203 |
Remote Similarity | 0.6763 | NPC471944 |
Remote Similarity | 0.6755 | NPC300238 |
Remote Similarity | 0.6753 | NPC293216 |
Remote Similarity | 0.6751 | NPC113626 |
Remote Similarity | 0.6746 | NPC472259 |
Remote Similarity | 0.6745 | NPC123839 |
Remote Similarity | 0.6737 | NPC74619 |
Remote Similarity | 0.6733 | NPC473763 |
Remote Similarity | 0.6733 | NPC117244 |
Remote Similarity | 0.672 | NPC251391 |
Remote Similarity | 0.6717 | NPC143533 |
Remote Similarity | 0.6716 | NPC472289 |
Remote Similarity | 0.6716 | NPC103119 |
Remote Similarity | 0.6714 | NPC471191 |
Remote Similarity | 0.6702 | NPC233380 |
Remote Similarity | 0.6701 | NPC91179 |
Remote Similarity | 0.6697 | NPC323969 |
Remote Similarity | 0.6685 | NPC114209 |
Remote Similarity | 0.6685 | NPC100726 |
Remote Similarity | 0.6684 | NPC28848 |
Remote Similarity | 0.6684 | NPC65080 |
Remote Similarity | 0.6684 | NPC14325 |
Remote Similarity | 0.6684 | NPC164664 |
Remote Similarity | 0.6682 | NPC116622 |
Remote Similarity | 0.6682 | NPC476817 |
Remote Similarity | 0.6667 | NPC269886 |
Remote Similarity | 0.6667 | NPC17059 |
Remote Similarity | 0.6667 | NPC247735 |
Remote Similarity | 0.6667 | NPC473376 |
Remote Similarity | 0.6667 | NPC70406 |
Remote Similarity | 0.6667 | NPC467188 |
Remote Similarity | 0.6667 | NPC188821 |
Remote Similarity | 0.6667 | NPC474492 |
Remote Similarity | 0.6667 | NPC472295 |
Remote Similarity | 0.6667 | NPC474180 |
Remote Similarity | 0.6667 | NPC62995 |
Remote Similarity | 0.6667 | NPC81802 |
Remote Similarity | 0.6667 | NPC472210 |
Remote Similarity | 0.6667 | NPC300299 |
Remote Similarity | 0.6624 | NPC63109 |
Remote Similarity | 0.662 | NPC477979 |
Remote Similarity | 0.6617 | NPC66210 |
Remote Similarity | 0.6617 | NPC94752 |
Remote Similarity | 0.6617 | NPC62749 |
Remote Similarity | 0.6617 | NPC478077 |
Remote Similarity | 0.6616 | NPC15840 |
Remote Similarity | 0.6613 | NPC313889 |
Remote Similarity | 0.6613 | NPC40070 |
Remote Similarity | 0.6605 | NPC470702 |
Remote Similarity | 0.6605 | NPC473218 |
Remote Similarity | 0.6605 | NPC118940 |
Remote Similarity | 0.66 | NPC258480 |
Remote Similarity | 0.66 | NPC467063 |
Remote Similarity | 0.6599 | NPC64436 |
Remote Similarity | 0.6597 | NPC214106 |
Remote Similarity | 0.6597 | NPC225018 |
Remote Similarity | 0.6596 | NPC120070 |
Remote Similarity | 0.6595 | NPC179787 |
Remote Similarity | 0.6595 | NPC201380 |
Remote Similarity | 0.6593 | NPC277157 |
Remote Similarity | 0.6592 | NPC226184 |
Remote Similarity | 0.6592 | NPC76544 |
Remote Similarity | 0.659 | NPC470732 |
Remote Similarity | 0.659 | NPC470731 |
Remote Similarity | 0.6583 | NPC470677 |
Remote Similarity | 0.6582 | NPC469938 |
Remote Similarity | 0.6576 | NPC204141 |
Remote Similarity | 0.6575 | NPC104483 |
Remote Similarity | 0.6574 | NPC470703 |
Remote Similarity | 0.657 | NPC106824 |
Remote Similarity | 0.6561 | NPC327095 |
Remote Similarity | 0.6561 | NPC312942 |
Remote Similarity | 0.6561 | NPC253987 |
Remote Similarity | 0.6559 | NPC321911 |
Remote Similarity | 0.6559 | NPC123906 |
Remote Similarity | 0.6557 | NPC472064 |
Remote Similarity | 0.6555 | NPC121327 |
Remote Similarity | 0.6553 | NPC294693 |
Remote Similarity | 0.6552 | NPC473666 |
Remote Similarity | 0.655 | NPC471609 |
Remote Similarity | 0.6545 | NPC122141 |
Remote Similarity | 0.6541 | NPC63545 |
TTD   | DIB012328 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | |
ChEBI   | |
CAS Number   |
Molecular Weight   | 255.14 |
ALogP   | -1.0324 |
MLogP   | 2.67 |
XLogP   | 3.133 |
HDA   | 4 |
HBD   | 0 |
Rotatable Bonds   | 5 |
TPSA   | 38.13 |
RO5 Violation   | 0 |