Drug ID:   | NPD6615 |
Drug Name:   | |
Molecular Formula:   | C26H32ClN5O4 |
Canonical SMILES:   | C[C@@H]1O[C@H](C)CN(C1)C(=O)CN1CC(C)(C)OCC1C(=Nc1cc(Cl)cc2c1[nH]c1c2ccnc1)O |
Standard InCHI:   | InChI=1S/C26H32ClN5O4/c1-15-10-31(11-16(2)36-15)23(33)12-32-14-26(3,4)35-13-22(32)25(34)30-20-8-17(27)7-19-18-5-6-28-9-21(18)29-24(19)20/h5-9,15-16,22,29H,10-14H2,1-4H3,(H,30,34)/t15-,16+,22? |
Standard InCHIKey:   | BQBAVNBXWBYXIF-XVQYUUQNSA-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 | 0.7524 | NPC94752 |
Intermediate Similarity | 0.7523 | NPC281049 |
Intermediate Similarity | 0.7477 | NPC478158 |
Intermediate Similarity | 0.7387 | NPC478157 |
Intermediate Similarity | 0.736 | NPC477591 |
Intermediate Similarity | 0.7336 | NPC265576 |
Intermediate Similarity | 0.7317 | NPC11126 |
Intermediate Similarity | 0.7304 | NPC280852 |
Intermediate Similarity | 0.7286 | NPC213629 |
Intermediate Similarity | 0.726 | NPC228835 |
Intermediate Similarity | 0.724 | NPC162860 |
Intermediate Similarity | 0.7237 | NPC155444 |
Intermediate Similarity | 0.7235 | NPC475506 |
Intermediate Similarity | 0.7205 | NPC64216 |
Intermediate Similarity | 0.7202 | NPC155143 |
Intermediate Similarity | 0.7188 | NPC54744 |
Intermediate Similarity | 0.7183 | NPC316018 |
Intermediate Similarity | 0.7183 | NPC315617 |
Intermediate Similarity | 0.7183 | NPC314058 |
Intermediate Similarity | 0.7183 | NPC316359 |
Intermediate Similarity | 0.7182 | NPC475288 |
Intermediate Similarity | 0.7176 | NPC473640 |
Intermediate Similarity | 0.7155 | NPC56109 |
Intermediate Similarity | 0.7155 | NPC191382 |
Intermediate Similarity | 0.715 | NPC12649 |
Intermediate Similarity | 0.7149 | NPC54420 |
Intermediate Similarity | 0.7143 | NPC100321 |
Intermediate Similarity | 0.7129 | NPC139291 |
Intermediate Similarity | 0.7129 | NPC472108 |
Intermediate Similarity | 0.7124 | NPC251936 |
Intermediate Similarity | 0.7124 | NPC470731 |
Intermediate Similarity | 0.7123 | NPC193761 |
Intermediate Similarity | 0.7118 | NPC471506 |
Intermediate Similarity | 0.7116 | NPC294693 |
Intermediate Similarity | 0.7112 | NPC476491 |
Intermediate Similarity | 0.7112 | NPC476492 |
Intermediate Similarity | 0.7097 | NPC171317 |
Intermediate Similarity | 0.7079 | NPC478182 |
Intermediate Similarity | 0.7079 | NPC311276 |
Intermediate Similarity | 0.7075 | NPC17059 |
Intermediate Similarity | 0.7072 | NPC166492 |
Intermediate Similarity | 0.7072 | NPC473362 |
Intermediate Similarity | 0.7067 | NPC75634 |
Intermediate Similarity | 0.7056 | NPC473763 |
Intermediate Similarity | 0.7056 | NPC117244 |
Intermediate Similarity | 0.7045 | NPC472843 |
Intermediate Similarity | 0.7045 | NPC476874 |
Intermediate Similarity | 0.7041 | NPC201380 |
Intermediate Similarity | 0.7041 | NPC179787 |
Intermediate Similarity | 0.7039 | NPC161861 |
Intermediate Similarity | 0.7033 | NPC314919 |
Intermediate Similarity | 0.7024 | NPC116961 |
Intermediate Similarity | 0.7022 | NPC320968 |
Intermediate Similarity | 0.7019 | NPC68354 |
Intermediate Similarity | 0.7014 | NPC317701 |
Intermediate Similarity | 0.7009 | NPC107077 |
Intermediate Similarity | 0.7009 | NPC223791 |
Intermediate Similarity | 0.7005 | NPC321911 |
Remote Similarity | 0.6995 | NPC40779 |
Remote Similarity | 0.6995 | NPC478184 |
Remote Similarity | 0.699 | NPC63545 |
Remote Similarity | 0.6987 | NPC473310 |
Remote Similarity | 0.6986 | NPC313421 |
Remote Similarity | 0.6986 | NPC293917 |
Remote Similarity | 0.6985 | NPC325903 |
Remote Similarity | 0.6977 | NPC243716 |
Remote Similarity | 0.6974 | NPC472027 |
Remote Similarity | 0.6967 | NPC472110 |
Remote Similarity | 0.6967 | NPC472109 |
Remote Similarity | 0.6967 | NPC48938 |
Remote Similarity | 0.6957 | NPC472123 |
Remote Similarity | 0.6954 | NPC469811 |
Remote Similarity | 0.6952 | NPC24864 |
Remote Similarity | 0.6949 | NPC475859 |
Remote Similarity | 0.6949 | NPC475969 |
Remote Similarity | 0.6941 | NPC470499 |
Remote Similarity | 0.694 | NPC312942 |
Remote Similarity | 0.694 | NPC327095 |
Remote Similarity | 0.6939 | NPC470440 |
Remote Similarity | 0.6938 | NPC472845 |
Remote Similarity | 0.6934 | NPC284678 |
Remote Similarity | 0.6934 | NPC165495 |
Remote Similarity | 0.6931 | NPC293487 |
Remote Similarity | 0.693 | NPC250835 |
Remote Similarity | 0.6927 | NPC56233 |
Remote Similarity | 0.6927 | NPC160105 |
Remote Similarity | 0.6923 | NPC275305 |
Remote Similarity | 0.6923 | NPC37423 |
Remote Similarity | 0.6919 | NPC191415 |
Remote Similarity | 0.691 | NPC40455 |
Remote Similarity | 0.6908 | NPC470498 |
Remote Similarity | 0.6907 | NPC477175 |
Remote Similarity | 0.6907 | NPC470730 |
Remote Similarity | 0.69 | NPC470732 |
Remote Similarity | 0.6897 | NPC229173 |
Remote Similarity | 0.6894 | NPC475258 |
Remote Similarity | 0.6887 | NPC102755 |
Remote Similarity | 0.6886 | NPC473757 |
Remote Similarity | 0.6881 | NPC236711 |
Remote Similarity | 0.6881 | NPC469762 |
Remote Similarity | 0.6878 | NPC470497 |
Remote Similarity | 0.6864 | NPC297862 |
Remote Similarity | 0.6864 | NPC212213 |
Remote Similarity | 0.6863 | NPC470203 |
Remote Similarity | 0.686 | NPC194411 |
Remote Similarity | 0.6853 | NPC314372 |
Remote Similarity | 0.6852 | NPC95783 |
Remote Similarity | 0.6851 | NPC319232 |
Remote Similarity | 0.6851 | NPC24370 |
Remote Similarity | 0.685 | NPC470233 |
Remote Similarity | 0.6849 | NPC165743 |
Remote Similarity | 0.6847 | NPC474880 |
Remote Similarity | 0.6847 | NPC221786 |
Remote Similarity | 0.6845 | NPC478183 |
Remote Similarity | 0.6844 | NPC323927 |
Remote Similarity | 0.6842 | NPC75726 |
Remote Similarity | 0.6842 | NPC110602 |
Remote Similarity | 0.6842 | NPC31385 |
Remote Similarity | 0.6838 | NPC476817 |
Remote Similarity | 0.6832 | NPC469785 |
Remote Similarity | 0.6832 | NPC476464 |
Remote Similarity | 0.683 | NPC473376 |
Remote Similarity | 0.683 | NPC214827 |
Remote Similarity | 0.683 | NPC314930 |
Remote Similarity | 0.6829 | NPC476446 |
Remote Similarity | 0.6829 | NPC78375 |
Remote Similarity | 0.6829 | NPC469813 |
Remote Similarity | 0.6825 | NPC176199 |
Remote Similarity | 0.6825 | NPC215795 |
Remote Similarity | 0.6822 | NPC99939 |
Remote Similarity | 0.6822 | NPC308931 |
Remote Similarity | 0.682 | NPC323198 |
Remote Similarity | 0.6816 | NPC469786 |
Remote Similarity | 0.6816 | NPC73952 |
Remote Similarity | 0.6816 | NPC469763 |
Remote Similarity | 0.6816 | NPC259644 |
Remote Similarity | 0.6816 | NPC469760 |
Remote Similarity | 0.6816 | NPC25008 |
Remote Similarity | 0.6816 | NPC469765 |
Remote Similarity | 0.6814 | NPC470204 |
Remote Similarity | 0.6814 | NPC122141 |
Remote Similarity | 0.6812 | NPC221100 |
Remote Similarity | 0.6812 | NPC234078 |
Remote Similarity | 0.6812 | NPC63751 |
Remote Similarity | 0.681 | NPC472122 |
Remote Similarity | 0.681 | NPC24594 |
Remote Similarity | 0.6809 | NPC19170 |
Remote Similarity | 0.68 | NPC24678 |
Remote Similarity | 0.68 | NPC105818 |
Remote Similarity | 0.6798 | NPC299594 |
Remote Similarity | 0.6794 | NPC314603 |
Remote Similarity | 0.6792 | NPC91179 |
Remote Similarity | 0.6792 | NPC16659 |
Remote Similarity | 0.6792 | NPC472105 |
Remote Similarity | 0.6792 | NPC187827 |
Remote Similarity | 0.6791 | NPC235684 |
Remote Similarity | 0.6791 | NPC62749 |
Remote Similarity | 0.6787 | NPC239954 |
Remote Similarity | 0.6782 | NPC80597 |
Remote Similarity | 0.6782 | NPC211572 |
Remote Similarity | 0.6782 | NPC70922 |
Remote Similarity | 0.6782 | NPC75540 |
Remote Similarity | 0.6782 | NPC212376 |
Remote Similarity | 0.678 | NPC475338 |
Remote Similarity | 0.678 | NPC909 |
Remote Similarity | 0.678 | NPC478185 |
Remote Similarity | 0.6779 | NPC91895 |
Remote Similarity | 0.6779 | NPC32534 |
Remote Similarity | 0.6778 | NPC89987 |
Remote Similarity | 0.6777 | NPC59269 |
Remote Similarity | 0.6777 | NPC478029 |
Remote Similarity | 0.6774 | NPC469470 |
Remote Similarity | 0.6774 | NPC324091 |
Remote Similarity | 0.6774 | NPC469501 |
Remote Similarity | 0.6771 | NPC300183 |
Remote Similarity | 0.6767 | NPC477714 |
Remote Similarity | 0.6765 | NPC56765 |
Remote Similarity | 0.6763 | NPC49954 |
Remote Similarity | 0.6763 | NPC474561 |
Remote Similarity | 0.6763 | NPC54988 |
Remote Similarity | 0.6762 | NPC469938 |
Remote Similarity | 0.6758 | NPC198673 |
Remote Similarity | 0.6756 | NPC470500 |
Remote Similarity | 0.6751 | NPC190296 |
Remote Similarity | 0.675 | NPC323752 |
Remote Similarity | 0.6748 | NPC21174 |
Remote Similarity | 0.6748 | NPC271797 |
Remote Similarity | 0.6748 | NPC317105 |
Remote Similarity | 0.6745 | NPC133261 |
Remote Similarity | 0.6745 | NPC265710 |
Remote Similarity | 0.6744 | NPC15102 |
Remote Similarity | 0.674 | NPC475024 |
Remote Similarity | 0.6736 | NPC474877 |
Remote Similarity | 0.6733 | NPC200214 |
Remote Similarity | 0.6731 | NPC317430 |
Remote Similarity | 0.673 | NPC203754 |
Remote Similarity | 0.673 | NPC150048 |
Remote Similarity | 0.6729 | NPC83381 |
Remote Similarity | 0.6728 | NPC175474 |
Remote Similarity | 0.6724 | NPC477715 |
Molecular Weight   | 513.21 |
ALogP   | -0.4041 |
MLogP   | 3.22 |
XLogP   | 2.128 |
HDA   | 9 |
HBD   | 2 |
Rotatable Bonds   | 11 |
TPSA   | 103.28 |
RO5 Violation   | 0 |