Drug Information

Drug ID:  NPD7452
Drug Name:  Bazedoxifene Acetate
Molecular Formula:  C30H34N2O3.C2H4O2
Canonical SMILES:  Oc1ccc2c(c1)c(C)c(n2Cc1ccc(cc1)OCCN1CCCCCC1)c1ccc(cc1)O.CC(=O)O
Standard InCHI:  InChI=1S/C30H34N2O3.C2H4O2/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31;1-2(3)4/h6-15,20,33-34H,2-5,16-19,21H2,1H3;1H3,(H,3,4)
Standard InCHIKey:  OMZAMQFQZMUNTP-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7452

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
Intermediate Similarity 0.8342 NPC474145
Intermediate Similarity 0.8342 NPC475841
Intermediate Similarity 0.8342 NPC472111
Intermediate Similarity 0.8333 NPC475774
Intermediate Similarity 0.8333 NPC223427
Intermediate Similarity 0.8308 NPC469589
Intermediate Similarity 0.8261 NPC132642
Intermediate Similarity 0.8199 NPC473185
Intermediate Similarity 0.8098 NPC94157
Intermediate Similarity 0.809 NPC329793
Intermediate Similarity 0.8079 NPC470931
Intermediate Similarity 0.8075 NPC476997
Intermediate Similarity 0.8058 NPC266931
Intermediate Similarity 0.8037 NPC476998
Intermediate Similarity 0.8037 NPC476996
Intermediate Similarity 0.801 NPC48353
Intermediate Similarity 0.8009 NPC280272
Intermediate Similarity 0.8 NPC475253
Intermediate Similarity 0.7991 NPC476994
Intermediate Similarity 0.799 NPC66083
Intermediate Similarity 0.799 NPC475910
Intermediate Similarity 0.798 NPC251090
Intermediate Similarity 0.7971 NPC478074
Intermediate Similarity 0.797 NPC307963
Intermediate Similarity 0.797 NPC162484
Intermediate Similarity 0.7969 NPC176127
Intermediate Similarity 0.7941 NPC53344
Intermediate Similarity 0.7941 NPC193777
Intermediate Similarity 0.7931 NPC264166
Intermediate Similarity 0.7931 NPC274291
Intermediate Similarity 0.7931 NPC165349
Intermediate Similarity 0.7931 NPC118832
Intermediate Similarity 0.7931 NPC47059
Intermediate Similarity 0.7931 NPC329708
Intermediate Similarity 0.7921 NPC135887
Intermediate Similarity 0.7921 NPC199277
Intermediate Similarity 0.7921 NPC475112
Intermediate Similarity 0.7921 NPC291535
Intermediate Similarity 0.7921 NPC475085
Intermediate Similarity 0.7919 NPC99666
Intermediate Similarity 0.7913 NPC471304
Intermediate Similarity 0.791 NPC329747
Intermediate Similarity 0.79 NPC473183
Intermediate Similarity 0.7885 NPC469592
Intermediate Similarity 0.7885 NPC471080
Intermediate Similarity 0.7868 NPC92111
Intermediate Similarity 0.7867 NPC473179
Intermediate Similarity 0.7861 NPC128823
Intermediate Similarity 0.7853 NPC283152
Intermediate Similarity 0.7853 NPC211997
Intermediate Similarity 0.785 NPC243834
Intermediate Similarity 0.785 NPC70956
Intermediate Similarity 0.7837 NPC472098
Intermediate Similarity 0.7834 NPC477531
Intermediate Similarity 0.783 NPC477533
Intermediate Similarity 0.7826 NPC290689
Intermediate Similarity 0.7824 NPC252251
Intermediate Similarity 0.7817 NPC76748
Intermediate Similarity 0.7808 NPC473184
Intermediate Similarity 0.7805 NPC476106
Intermediate Similarity 0.7801 NPC134586
Intermediate Similarity 0.7793 NPC477532
Intermediate Similarity 0.7788 NPC209174
Intermediate Similarity 0.7778 NPC209769
Intermediate Similarity 0.7773 NPC295228
Intermediate Similarity 0.7766 NPC296527
Intermediate Similarity 0.7751 NPC316981
Intermediate Similarity 0.7751 NPC202605
Intermediate Similarity 0.7751 NPC112206
Intermediate Similarity 0.775 NPC131017
Intermediate Similarity 0.7749 NPC312872
Intermediate Similarity 0.774 NPC5145
Intermediate Similarity 0.7739 NPC114335
Intermediate Similarity 0.7739 NPC280964
Intermediate Similarity 0.7739 NPC141915
Intermediate Similarity 0.7738 NPC476995
Intermediate Similarity 0.7736 NPC469594
Intermediate Similarity 0.7734 NPC11017
Intermediate Similarity 0.7734 NPC249040
Intermediate Similarity 0.7729 NPC82548
Intermediate Similarity 0.7723 NPC72211
Intermediate Similarity 0.7703 NPC208284
Intermediate Similarity 0.77 NPC193267
Intermediate Similarity 0.77 NPC213530
Intermediate Similarity 0.7692 NPC476116
Intermediate Similarity 0.7692 NPC201697
Intermediate Similarity 0.7685 NPC476582
Intermediate Similarity 0.7685 NPC476578
Intermediate Similarity 0.7685 NPC4071
Intermediate Similarity 0.7671 NPC476999
Intermediate Similarity 0.767 NPC285558
Intermediate Similarity 0.767 NPC475070
Intermediate Similarity 0.767 NPC470930
Intermediate Similarity 0.7665 NPC171171
Intermediate Similarity 0.7656 NPC11464
Intermediate Similarity 0.7656 NPC199667
Intermediate Similarity 0.7653 NPC84478
Intermediate Similarity 0.7653 NPC96321
Intermediate Similarity 0.765 NPC195268
Intermediate Similarity 0.765 NPC133140
Intermediate Similarity 0.7647 NPC234197
Intermediate Similarity 0.7647 NPC477019
Intermediate Similarity 0.7647 NPC176538
Intermediate Similarity 0.7629 NPC88363
Intermediate Similarity 0.7624 NPC70259
Intermediate Similarity 0.7617 NPC288943
Intermediate Similarity 0.7614 NPC314002
Intermediate Similarity 0.7614 NPC42591
Intermediate Similarity 0.7608 NPC473181
Intermediate Similarity 0.7596 NPC313189
Intermediate Similarity 0.7588 NPC242928
Intermediate Similarity 0.7585 NPC476581
Intermediate Similarity 0.7585 NPC16452
Intermediate Similarity 0.7585 NPC164374
Intermediate Similarity 0.7585 NPC36229
Intermediate Similarity 0.7585 NPC137929
Intermediate Similarity 0.7583 NPC264176
Intermediate Similarity 0.7581 NPC472099
Intermediate Similarity 0.7576 NPC204385
Intermediate Similarity 0.7574 NPC205934
Intermediate Similarity 0.7574 NPC43787
Intermediate Similarity 0.7573 NPC470678
Intermediate Similarity 0.7573 NPC295898
Intermediate Similarity 0.757 NPC204446
Intermediate Similarity 0.757 NPC473822
Intermediate Similarity 0.7563 NPC62069
Intermediate Similarity 0.7563 NPC204717
Intermediate Similarity 0.7559 NPC469928
Intermediate Similarity 0.7557 NPC475720
Intermediate Similarity 0.7557 NPC474192
Intermediate Similarity 0.7552 NPC158129
Intermediate Similarity 0.7551 NPC474798
Intermediate Similarity 0.7551 NPC206201
Intermediate Similarity 0.755 NPC106833
Intermediate Similarity 0.755 NPC469497
Intermediate Similarity 0.7547 NPC271215
Intermediate Similarity 0.7547 NPC149471
Intermediate Similarity 0.754 NPC26850
Intermediate Similarity 0.7525 NPC79293
Intermediate Similarity 0.7525 NPC279401
Intermediate Similarity 0.7525 NPC475190
Intermediate Similarity 0.7524 NPC267423
Intermediate Similarity 0.7523 NPC96584
Intermediate Similarity 0.7523 NPC329631
Intermediate Similarity 0.7523 NPC255800
Intermediate Similarity 0.7513 NPC220765
Intermediate Similarity 0.7512 NPC287437
Intermediate Similarity 0.7512 NPC469390
Intermediate Similarity 0.7511 NPC201508
Intermediate Similarity 0.75 NPC153042
Intermediate Similarity 0.75 NPC77555
Intermediate Similarity 0.75 NPC128751
Intermediate Similarity 0.75 NPC296482
Intermediate Similarity 0.75 NPC202768
Intermediate Similarity 0.75 NPC246700
Intermediate Similarity 0.75 NPC53069
Intermediate Similarity 0.7489 NPC39370
Intermediate Similarity 0.7489 NPC277351
Intermediate Similarity 0.7488 NPC211813
Intermediate Similarity 0.7477 NPC8022
Intermediate Similarity 0.7477 NPC470799
Intermediate Similarity 0.7477 NPC473186
Intermediate Similarity 0.7474 NPC118511
Intermediate Similarity 0.7452 NPC469440
Intermediate Similarity 0.7452 NPC476138
Intermediate Similarity 0.7452 NPC245816
Intermediate Similarity 0.7449 NPC72980
Intermediate Similarity 0.7444 NPC473182
Intermediate Similarity 0.7441 NPC174758
Intermediate Similarity 0.744 NPC31930
Intermediate Similarity 0.7438 NPC473178
Intermediate Similarity 0.7431 NPC118121
Intermediate Similarity 0.7429 NPC135549
Intermediate Similarity 0.7419 NPC174049
Intermediate Similarity 0.7418 NPC473180
Intermediate Similarity 0.7418 NPC26679
Intermediate Similarity 0.7418 NPC203168
Intermediate Similarity 0.7415 NPC267928
Intermediate Similarity 0.7411 NPC478032
Intermediate Similarity 0.7409 NPC202503
Intermediate Similarity 0.7409 NPC214980
Intermediate Similarity 0.7407 NPC303658
Intermediate Similarity 0.7407 NPC23614
Intermediate Similarity 0.7407 NPC173080
Intermediate Similarity 0.7407 NPC473041
Intermediate Similarity 0.7407 NPC100079
Intermediate Similarity 0.7406 NPC167860
Intermediate Similarity 0.7406 NPC188420
Intermediate Similarity 0.7406 NPC123976
Intermediate Similarity 0.7406 NPC219664
Intermediate Similarity 0.74 NPC61350
Intermediate Similarity 0.7395 NPC170114
Intermediate Similarity 0.7389 NPC474183
Intermediate Similarity 0.7389 NPC11408
Intermediate Similarity 0.7383 NPC476287
Intermediate Similarity 0.7382 NPC329982
Intermediate Similarity 0.7381 NPC323345
Intermediate Similarity 0.7381 NPC470164
Intermediate Similarity 0.738 NPC26872
Intermediate Similarity 0.7363 NPC46580

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  470.26
ALogP  -1.5003
MLogP  4.21
XLogP  5.919
HDA  2
HBD  2
Rotatable Bonds  10
TPSA  57.86
RO5 Violation  1