Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD3323

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD   DIB015035
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

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