Natural Product: NPC277351

Natural Product ID:  NPC277351
Common Name:   8,8''-Biskoenigine
IUPAC Name:   10-(9-hydroxy-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-10-yl)-8-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazol-9-ol
Synonyms:   8,8'-Biskoenigine
Molecular Formula:   C38H36N2O6
Standard InCHIKey:  DQRAEENKHHFBHV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C38H36N2O6/c1-17-13-21-23-15-25(43-7)33(41)27(31(23)39-29(21)19-9-11-37(3,4)45-35(17)19)28-32-24(16-26(44-8)34(28)42)22-14-18(2)36-20(30(22)40-32)10-12-38(5,6)46-36/h9-16,39-42H,1-8H3
Canonical SMILES:  COc1cc2c(c(c1O)c1c(O)c(OC)cc3c1[nH]c1c3cc(c3c1C=CC(O3)(C)C)C)[nH]c1c2cc(C)c2c1C=CC(O2)(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO3364 Murraya koenigii Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3595 Individual Protein Cathepsin K Homo sapiens IC50 = 1.18 ug/ml 17027271
NPT81 Cell Line A549 Homo sapiens IC50 = 1.6 ug/ml 17027271
NPT90 Cell Line DU-145 Homo sapiens IC50 = 1.6 ug/ml 17027271
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 1.6 ug/ml 17027271
NPT139 Cell Line HT-29 Homo sapiens IC50 = 1.6 ug/ml 17027271
NPT83 Cell Line MCF7 Homo sapiens IC50 = 1.6 ug/ml 17027271
NPT319 Cell Line B16 Mus musculus IC50 = 1.6 ug/ml 17027271
NPT214 Individual Protein Cathepsin B Homo sapiens IC50 = 1.3 ug/ml 12662104

  Similar Natural Products in NPASS

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

●  The left chart: Distribution of similarity level between NPC277351 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9116 High Similarity NPC477531
0.91 High Similarity NPC477532
0.907 High Similarity NPC209174
0.9023 High Similarity NPC252251
0.8698 High Similarity NPC477533
0.852 High Similarity NPC473182
0.8489 Intermediate Similarity NPC473183
0.8416 Intermediate Similarity NPC202503
0.84 Intermediate Similarity NPC473184
0.839 Intermediate Similarity NPC89549
0.8372 Intermediate Similarity NPC48353
0.8341 Intermediate Similarity NPC162484
0.8311 Intermediate Similarity NPC473179
0.8294 Intermediate Similarity NPC135887
0.8294 Intermediate Similarity NPC199277
0.8294 Intermediate Similarity NPC291535
0.8294 Intermediate Similarity NPC475112
0.8294 Intermediate Similarity NPC475085
0.8267 Intermediate Similarity NPC475253
0.8233 Intermediate Similarity NPC209769
0.8233 Intermediate Similarity NPC201697
0.8178 Intermediate Similarity NPC476106
0.814 Intermediate Similarity NPC193777
0.8133 Intermediate Similarity NPC473185
0.8104 Intermediate Similarity NPC72211
0.8093 Intermediate Similarity NPC473188
0.8057 Intermediate Similarity NPC70956
0.8057 Intermediate Similarity NPC243834
0.8047 Intermediate Similarity NPC470930
0.8009 Intermediate Similarity NPC70259
0.7983 Intermediate Similarity NPC217554
0.7962 Intermediate Similarity NPC205934
0.7962 Intermediate Similarity NPC131017
0.7962 Intermediate Similarity NPC43787
0.7957 Intermediate Similarity NPC284141
0.7907 Intermediate Similarity NPC267423
0.7897 Intermediate Similarity NPC11408
0.7888 Intermediate Similarity NPC473187
0.7854 Intermediate Similarity NPC470931
0.7838 Intermediate Similarity NPC266931
0.7793 Intermediate Similarity NPC316981
0.7752 Intermediate Similarity NPC223427
0.7742 Intermediate Similarity NPC476044
0.7721 Intermediate Similarity NPC153042
0.7719 Intermediate Similarity NPC280272
0.7709 Intermediate Similarity NPC132642
0.7706 Intermediate Similarity NPC476997
0.7686 Intermediate Similarity NPC211416
0.7672 Intermediate Similarity NPC476998
0.7672 Intermediate Similarity NPC476996
0.7639 Intermediate Similarity NPC201508
0.7634 Intermediate Similarity NPC203168
0.7629 Intermediate Similarity NPC476994
0.7627 Intermediate Similarity NPC6786
0.7623 Intermediate Similarity NPC199667
0.7623 Intermediate Similarity NPC11464
0.7623 Intermediate Similarity NPC219664
0.7621 Intermediate Similarity NPC469594
0.7583 Intermediate Similarity NPC94943
0.7578 Intermediate Similarity NPC473181
0.7577 Intermediate Similarity NPC314552
0.7565 Intermediate Similarity NPC118121
0.7556 Intermediate Similarity NPC94157
0.7556 Intermediate Similarity NPC473180
0.7555 Intermediate Similarity NPC86078
0.7543 Intermediate Similarity NPC200888
0.7536 Intermediate Similarity NPC190007
0.7534 Intermediate Similarity NPC11017
0.7511 Intermediate Similarity NPC295228
0.75 Intermediate Similarity NPC96584
0.75 Intermediate Similarity NPC255800
0.7488 Intermediate Similarity NPC212535
0.7479 Intermediate Similarity NPC476995
0.7466 Intermediate Similarity NPC66815
0.7456 Intermediate Similarity NPC170114
0.7449 Intermediate Similarity NPC472589
0.7445 Intermediate Similarity NPC469592
0.7445 Intermediate Similarity NPC471080
0.7435 Intermediate Similarity NPC148409
0.7432 Intermediate Similarity NPC469440
0.7412 Intermediate Similarity NPC470549
0.7398 Intermediate Similarity NPC189079
0.7395 Intermediate Similarity NPC246700
0.7393 Intermediate Similarity NPC195788
0.7393 Intermediate Similarity NPC237901
0.7393 Intermediate Similarity NPC227908
0.7391 Intermediate Similarity NPC204446
0.7375 Intermediate Similarity NPC131486
0.7371 Intermediate Similarity NPC198503
0.7368 Intermediate Similarity NPC472588
0.7358 Intermediate Similarity NPC133609
0.7346 Intermediate Similarity NPC88363
0.7339 Intermediate Similarity NPC122463
0.733 Intermediate Similarity NPC128823
0.7328 Intermediate Similarity NPC150239
0.7325 Intermediate Similarity NPC202605
0.7325 Intermediate Similarity NPC112206
0.7321 Intermediate Similarity NPC285558
0.732 Intermediate Similarity NPC284685
0.7316 Intermediate Similarity NPC473822
0.7296 Intermediate Similarity NPC280799
0.7293 Intermediate Similarity NPC478074
0.729 Intermediate Similarity NPC84478
0.7289 Intermediate Similarity NPC304183
0.7288 Intermediate Similarity NPC110151
0.7284 Intermediate Similarity NPC193267
0.7284 Intermediate Similarity NPC46451
0.7284 Intermediate Similarity NPC213530
0.7281 Intermediate Similarity NPC469497
0.7281 Intermediate Similarity NPC106833
0.728 Intermediate Similarity NPC260909
0.7269 Intermediate Similarity NPC66083
0.7269 Intermediate Similarity NPC476999
0.7265 Intermediate Similarity NPC475666
0.7261 Intermediate Similarity NPC235076
0.726 Intermediate Similarity NPC79293
0.726 Intermediate Similarity NPC279401
0.7256 Intermediate Similarity NPC473189
0.7249 Intermediate Similarity NPC294620
0.7243 Intermediate Similarity NPC176127
0.7241 Intermediate Similarity NPC46561
0.7241 Intermediate Similarity NPC100079
0.7241 Intermediate Similarity NPC23614
0.7241 Intermediate Similarity NPC247803
0.7237 Intermediate Similarity NPC290689
0.7235 Intermediate Similarity NPC128751
0.7229 Intermediate Similarity NPC183407
0.7225 Intermediate Similarity NPC475910
0.7224 Intermediate Similarity NPC160898
0.7224 Intermediate Similarity NPC81939
0.7224 Intermediate Similarity NPC78609
0.7222 Intermediate Similarity NPC310118
0.722 Intermediate Similarity NPC329747
0.7217 Intermediate Similarity NPC474594
0.7215 Intermediate Similarity NPC280964
0.7215 Intermediate Similarity NPC141915
0.7215 Intermediate Similarity NPC114335
0.7205 Intermediate Similarity NPC87413
0.7205 Intermediate Similarity NPC208284
0.7193 Intermediate Similarity NPC469589
0.7181 Intermediate Similarity NPC474595
0.7181 Intermediate Similarity NPC471303
0.7179 Intermediate Similarity NPC174760
0.7179 Intermediate Similarity NPC174049
0.7176 Intermediate Similarity NPC88923
0.7176 Intermediate Similarity NPC100734
0.7176 Intermediate Similarity NPC315634
0.7173 Intermediate Similarity NPC214980
0.7172 Intermediate Similarity NPC477066
0.7168 Intermediate Similarity NPC164374
0.7168 Intermediate Similarity NPC137929
0.7156 Intermediate Similarity NPC474409
0.7143 Intermediate Similarity NPC204385
0.7143 Intermediate Similarity NPC470126
0.7143 Intermediate Similarity NPC478081
0.7131 Intermediate Similarity NPC478080
0.7123 Intermediate Similarity NPC312872
0.7116 Intermediate Similarity NPC474798
0.7114 Intermediate Similarity NPC188400
0.7111 Intermediate Similarity NPC31930
0.7104 Intermediate Similarity NPC475190
0.7103 Intermediate Similarity NPC72980
0.7097 Intermediate Similarity NPC28425
0.7092 Intermediate Similarity NPC244543
0.7087 Intermediate Similarity NPC188420
0.7083 Intermediate Similarity NPC469792
0.7078 Intermediate Similarity NPC242928
0.7074 Intermediate Similarity NPC39679
0.7073 Intermediate Similarity NPC477067
0.7073 Intermediate Similarity NPC478082
0.7072 Intermediate Similarity NPC326634
0.707 Intermediate Similarity NPC132385
0.7069 Intermediate Similarity NPC271215
0.7069 Intermediate Similarity NPC149471
0.7067 Intermediate Similarity NPC329793
0.7059 Intermediate Similarity NPC179287
0.7051 Intermediate Similarity NPC62069
0.7051 Intermediate Similarity NPC119579
0.7051 Intermediate Similarity NPC169402
0.7047 Intermediate Similarity NPC129897
0.7046 Intermediate Similarity NPC162748
0.7043 Intermediate Similarity NPC476116
0.7042 Intermediate Similarity NPC253580
0.7032 Intermediate Similarity NPC473177
0.7031 Intermediate Similarity NPC249583
0.7031 Intermediate Similarity NPC4687
0.7028 Intermediate Similarity NPC17437
0.7027 Intermediate Similarity NPC307963
0.7026 Intermediate Similarity NPC310211
0.7026 Intermediate Similarity NPC308137
0.7022 Intermediate Similarity NPC18487
0.7021 Intermediate Similarity NPC303658
0.702 Intermediate Similarity NPC191489
0.7018 Intermediate Similarity NPC156728
0.7018 Intermediate Similarity NPC244606
0.7018 Intermediate Similarity NPC16452
0.7018 Intermediate Similarity NPC36229
0.7018 Intermediate Similarity NPC476581
0.7013 Intermediate Similarity NPC167860
0.7013 Intermediate Similarity NPC123976

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC277351 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8093 Intermediate Similarity NPD6503 Clinical (unspecified phase)
0.7964 Intermediate Similarity NPD5903 Approved
0.7964 Intermediate Similarity NPD5902 Approved
0.7879 Intermediate Similarity NPD6494 Phase 2
0.7854 Intermediate Similarity NPD5658 Approved
0.7802 Intermediate Similarity NPD7558 Phase 2
0.7702 Intermediate Similarity NPD6773 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD3003 Approved
0.7577 Intermediate Similarity NPD5164 Discontinued
0.7568 Intermediate Similarity NPD7222 Phase 2
0.7533 Intermediate Similarity NPD5612 Discontinued
0.7489 Intermediate Similarity NPD7452 Approved
0.7489 Intermediate Similarity NPD7453 Approved
0.7478 Intermediate Similarity NPD5930 Phase 3
0.7461 Intermediate Similarity NPD8427 Approved
0.7461 Intermediate Similarity NPD8428 Approved
0.7461 Intermediate Similarity NPD8429 Approved
0.7459 Intermediate Similarity NPD6244 Phase 3
0.7459 Intermediate Similarity NPD6243 Phase 3
0.7431 Intermediate Similarity NPD8364 Approved
0.7431 Intermediate Similarity NPD8363 Approved
0.7393 Intermediate Similarity NPD8466 Approved
0.7393 Intermediate Similarity NPD8465 Approved
0.7393 Intermediate Similarity NPD8467 Approved
0.7373 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7359 Intermediate Similarity NPD7194 Discontinued
0.733 Intermediate Similarity NPD1768 Approved
0.7328 Intermediate Similarity NPD7859 Phase 2
0.7322 Intermediate Similarity NPD6963 Approved
0.7322 Intermediate Similarity NPD6964 Approved
0.732 Intermediate Similarity NPD7955 Approved
0.732 Intermediate Similarity NPD7956 Approved
0.7316 Intermediate Similarity NPD6985 Discontinued
0.7284 Intermediate Similarity NPD3763 Approved
0.728 Intermediate Similarity NPD8425 Approved
0.728 Intermediate Similarity NPD8459 Approved
0.728 Intermediate Similarity NPD8460 Approved
0.728 Intermediate Similarity NPD8426 Approved
0.7273 Intermediate Similarity NPD7025 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD8396 Approved
0.7252 Intermediate Similarity NPD8395 Approved
0.7176 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7803 Approved
0.7175 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD3324 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8091 Phase 3
0.7137 Intermediate Similarity NPD8403 Phase 1
0.7137 Intermediate Similarity NPD3875 Discontinued
0.7105 Intermediate Similarity NPD1392 Approved
0.7103 Intermediate Similarity NPD3920 Phase 2
0.7083 Intermediate Similarity NPD8512 Phase 3
0.7075 Intermediate Similarity NPD7169 Suspended
0.7073 Intermediate Similarity NPD4875 Phase 3
0.7073 Intermediate Similarity NPD4876 Phase 3
0.7072 Intermediate Similarity NPD4418 Discontinued
0.7028 Intermediate Similarity NPD8358 Approved
0.7027 Intermediate Similarity NPD1038 Approved
0.7025 Intermediate Similarity NPD4885 Approved
0.702 Intermediate Similarity NPD7708 Approved
0.702 Intermediate Similarity NPD7729 Clinical (unspecified phase)
0.6996 Remote Similarity NPD6491 Clinical (unspecified phase)
0.6987 Remote Similarity NPD5530 Phase 1
0.6987 Remote Similarity NPD4305 Clinical (unspecified phase)
0.6987 Remote Similarity NPD7719 Discontinued
0.6985 Remote Similarity NPD8489 Phase 1
0.6975 Remote Similarity NPD1954 Phase 1
0.6962 Remote Similarity NPD5070 Clinical (unspecified phase)
0.6953 Remote Similarity NPD3815 Phase 1
0.6953 Remote Similarity NPD3816 Phase 1
0.6951 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6948 Remote Similarity NPD4349 Approved
0.6948 Remote Similarity NPD4350 Approved
0.6942 Remote Similarity NPD7589 Clinical (unspecified phase)
0.6933 Remote Similarity NPD7948 Phase 1
0.692 Remote Similarity NPD6861 Clinical (unspecified phase)
0.691 Remote Similarity NPD5066 Phase 2
0.691 Remote Similarity NPD5067 Phase 2
0.691 Remote Similarity NPD6220 Phase 3
0.6904 Remote Similarity NPD7219 Approved
0.6904 Remote Similarity NPD7221 Approved
0.6904 Remote Similarity NPD6736 Discontinued
0.6902 Remote Similarity NPD8244 Phase 2
0.6895 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6891 Remote Similarity NPD7678 Clinical (unspecified phase)
0.6887 Remote Similarity NPD6531 Approved
0.6887 Remote Similarity NPD6530 Approved
0.688 Remote Similarity NPD6230 Discontinued
0.6878 Remote Similarity NPD5632 Approved
0.6875 Remote Similarity NPD5575 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5833 Phase 1
0.6855 Remote Similarity NPD5905 Phase 1
0.6853 Remote Similarity NPD7672 Approved
0.6853 Remote Similarity NPD7671 Approved
0.6838 Remote Similarity NPD4502 Phase 2
0.6831 Remote Similarity NPD7555 Discontinued
0.683 Remote Similarity NPD3922 Approved
0.683 Remote Similarity NPD3924 Approved
0.683 Remote Similarity NPD3921 Approved
0.683 Remote Similarity NPD3923 Approved
0.6816 Remote Similarity NPD2843 Phase 2
0.6816 Remote Similarity NPD2845 Phase 2
0.6812 Remote Similarity NPD4511 Phase 1
0.6797 Remote Similarity NPD8442 Discontinued
0.6776 Remote Similarity NPD4995 Approved
0.6776 Remote Similarity NPD4996 Approved
0.6776 Remote Similarity NPD6962 Phase 2
0.6772 Remote Similarity NPD5482 Discontinued
0.6763 Remote Similarity NPD6160 Clinical (unspecified phase)
0.676 Remote Similarity NPD7417 Discontinued
0.6755 Remote Similarity NPD7682 Approved
0.6755 Remote Similarity NPD7684 Approved
0.6751 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7796 Approved
0.6748 Remote Similarity NPD7797 Approved
0.674 Remote Similarity NPD6550 Discontinued
0.6738 Remote Similarity NPD5429 Discontinued
0.6736 Remote Similarity NPD7395 Discontinued
0.6735 Remote Similarity NPD4925 Approved
0.6732 Remote Similarity NPD3886 Phase 1
0.6727 Remote Similarity NPD4204 Approved
0.6727 Remote Similarity NPD4203 Approved
0.6725 Remote Similarity NPD3837 Clinical (unspecified phase)
0.6725 Remote Similarity NPD3825 Phase 3
0.6711 Remote Similarity NPD5913 Phase 3
0.6711 Remote Similarity NPD5912 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7571 Clinical (unspecified phase)
0.6706 Remote Similarity NPD6525 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6590 Discontinued
0.6682 Remote Similarity NPD6339 Approved
0.6682 Remote Similarity NPD6340 Approved
0.6681 Remote Similarity NPD4897 Phase 2
0.6681 Remote Similarity NPD4437 Phase 3
0.668 Remote Similarity NPD7675 Phase 3
0.668 Remote Similarity NPD7674 Phase 3
0.668 Remote Similarity NPD7676 Clinical (unspecified phase)
0.6679 Remote Similarity NPD6456 Discontinued
0.6667 Remote Similarity NPD7069 Discontinued
0.6667 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7862 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6517 Phase 3
0.6654 Remote Similarity NPD5488 Discontinued
0.6654 Remote Similarity NPD6742 Phase 2
0.6654 Remote Similarity NPD6743 Phase 2
0.6653 Remote Similarity NPD5507 Approved
0.6653 Remote Similarity NPD6147 Clinical (unspecified phase)
0.6653 Remote Similarity NPD4373 Phase 2
0.6653 Remote Similarity NPD5506 Approved
0.6652 Remote Similarity NPD4795 Phase 2
0.664 Remote Similarity NPD7620 Phase 2
0.6639 Remote Similarity NPD6246 Approved
0.6638 Remote Similarity NPD6769 Clinical (unspecified phase)
0.6637 Remote Similarity NPD8053 Approved
0.6637 Remote Similarity NPD8054 Approved
0.6636 Remote Similarity NPD7479 Phase 2
0.6626 Remote Similarity NPD5559 Phase 2
0.6626 Remote Similarity NPD7710 Clinical (unspecified phase)
0.6626 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6625 Remote Similarity NPD7823 Clinical (unspecified phase)
0.6624 Remote Similarity NPD6150 Discontinued
0.6624 Remote Similarity NPD5416 Discontinued
0.6614 Remote Similarity NPD5483 Clinical (unspecified phase)
0.6612 Remote Similarity NPD7426 Phase 1
0.6612 Remote Similarity NPD6242 Discontinued
0.6609 Remote Similarity NPD6991 Approved
0.6601 Remote Similarity NPD6473 Phase 1
0.66 Remote Similarity NPD4454 Phase 2
0.6588 Remote Similarity NPD8359 Phase 2
0.6587 Remote Similarity NPD8016 Phase 3
0.6587 Remote Similarity NPD8017 Clinical (unspecified phase)
0.6586 Remote Similarity NPD4080 Discontinued
0.6585 Remote Similarity NPD6553 Clinical (unspecified phase)
0.6585 Remote Similarity NPD8279 Clinical (unspecified phase)
0.6581 Remote Similarity NPD4035 Approved
0.6581 Remote Similarity NPD4039 Approved
0.6581 Remote Similarity NPD4038 Approved
0.6581 Remote Similarity NPD4036 Approved
0.6581 Remote Similarity NPD31 Approved
0.6581 Remote Similarity NPD4033 Approved
0.6581 Remote Similarity NPD4122 Approved
0.6581 Remote Similarity NPD4034 Approved
0.6581 Remote Similarity NPD4037 Approved
0.6581 Remote Similarity NPD32 Approved
0.6574 Remote Similarity NPD5805 Approved
0.6568 Remote Similarity NPD2916 Discontinued
0.6568 Remote Similarity NPD7181 Phase 3
0.6546 Remote Similarity NPD3746 Discontinued
0.6538 Remote Similarity NPD6324 Phase 1
0.6536 Remote Similarity NPD8524 Approved
0.6533 Remote Similarity NPD5256 Discontinued
0.6532 Remote Similarity NPD7567 Approved
0.6532 Remote Similarity NPD8464 Clinical (unspecified phase)
0.6532 Remote Similarity NPD4952 Phase 3
0.6528 Remote Similarity NPD8284 Discontinued
0.6527 Remote Similarity NPD6202 Discontinued
0.6522 Remote Similarity NPD5512 Phase 3
0.652 Remote Similarity NPD2565 Phase 2
0.652 Remote Similarity NPD2564 Approved
0.6514 Remote Similarity NPD1325 Approved
0.6514 Remote Similarity NPD1326 Approved
0.6514 Remote Similarity NPD4724 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   12967046
ChEMBL   CHEMBL434383
ZINC  

Physicochemical Properties

Molecular Weight:  616.26
ALogP:  1.2346
MLogP:  4.76
XLogP:  4.764
# Rotatable Bonds:  13
Polar Surface Area:  108.96
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  8
# Heavy Atoms:  46

Download Data

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Biological Activities  
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