Natural Product: NPC477045

Natural Product ID:  NPC477045
Common Name:   Laxiracemosin F
IUPAC Name:   4-[(3R,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1H-pyrrole-2-carbaldehyde
Synonyms:   Laxiracemosin F
Molecular Formula:   C27H39NO2
Standard InCHIKey:  OSIJEJSDZVRPGU-CYSXVTQASA-N
Standard InCHI:  InChI=1S/C27H39NO2/c1-24(2)22-7-6-21-20(25(22,3)11-10-23(24)30)9-13-26(4)19(8-12-27(21,26)5)17-14-18(16-29)28-15-17/h6,14-16,19-20,22-23,28,30H,7-13H2,1-5H3/t19-,20-,22?,23+,25+,26-,27+/m0/s1
Canonical SMILES:  O=Cc1[nH]cc(c1)[C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CCC2[C@]1(C)CC[C@H](C2(C)C)O)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
NPO33538 Dysoxylum laxiracemosum Species Meliaceae Eukaryota bark Xishuangbanna, Yunnan Province, China PMID[20669932]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 = 15700 nM 20669932
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 = 15600 nM 20669932
NPT81 Cell Line A549 Homo sapiens IC50 > 20000 nM 20669932
NPT83 Cell Line MCF7 Homo sapiens IC50 > 20000 nM 20669932
NPT660 Cell Line SW480 Homo sapiens IC50 > 20000 nM 20669932

  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 NPC477045 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
0.9831 High Similarity NPC477041
0.9831 High Similarity NPC477044
0.9508 High Similarity NPC477043
0.8983 High Similarity NPC477042
0.8162 Intermediate Similarity NPC300688
0.8054 Intermediate Similarity NPC151939
0.799 Intermediate Similarity NPC11445
0.798 Intermediate Similarity NPC98715
0.797 Intermediate Similarity NPC300183
0.7938 Intermediate Similarity NPC195239
0.7938 Intermediate Similarity NPC157828
0.7927 Intermediate Similarity NPC47190
0.7914 Intermediate Similarity NPC213468
0.791 Intermediate Similarity NPC127677
0.791 Intermediate Similarity NPC258062
0.7902 Intermediate Similarity NPC204491
0.7902 Intermediate Similarity NPC203614
0.7865 Intermediate Similarity NPC209917
0.7861 Intermediate Similarity NPC46225
0.7861 Intermediate Similarity NPC225821
0.785 Intermediate Similarity NPC70155
0.7826 Intermediate Similarity NPC201700
0.7824 Intermediate Similarity NPC206967
0.7783 Intermediate Similarity NPC271862
0.7756 Intermediate Similarity NPC151976
0.7756 Intermediate Similarity NPC87856
0.7729 Intermediate Similarity NPC132211
0.7725 Intermediate Similarity NPC147446
0.7718 Intermediate Similarity NPC267965
0.7701 Intermediate Similarity NPC97525
0.765 Intermediate Similarity NPC252338
0.7614 Intermediate Similarity NPC267343
0.7606 Intermediate Similarity NPC235885
0.7606 Intermediate Similarity NPC141428
0.7592 Intermediate Similarity NPC198339
0.7592 Intermediate Similarity NPC471997
0.7588 Intermediate Similarity NPC227582
0.7577 Intermediate Similarity NPC99428
0.757 Intermediate Similarity NPC267926
0.7562 Intermediate Similarity NPC470279
0.7559 Intermediate Similarity NPC266192
0.7553 Intermediate Similarity NPC262338
0.755 Intermediate Similarity NPC473747
0.7535 Intermediate Similarity NPC57690
0.75 Intermediate Similarity NPC473628
0.7477 Intermediate Similarity NPC37473
0.7476 Intermediate Similarity NPC143075
0.7475 Intermediate Similarity NPC475151
0.7465 Intermediate Similarity NPC2395
0.7462 Intermediate Similarity NPC475874
0.7462 Intermediate Similarity NPC154339
0.7461 Intermediate Similarity NPC302191
0.7441 Intermediate Similarity NPC472285
0.7431 Intermediate Similarity NPC290529
0.7413 Intermediate Similarity NPC74153
0.7405 Intermediate Similarity NPC474492
0.7402 Intermediate Similarity NPC260900
0.7396 Intermediate Similarity NPC284775
0.7385 Intermediate Similarity NPC165201
0.7382 Intermediate Similarity NPC293216
0.738 Intermediate Similarity NPC311276
0.738 Intermediate Similarity NPC40779
0.7366 Intermediate Similarity NPC470680
0.7366 Intermediate Similarity NPC100104
0.7363 Intermediate Similarity NPC471655
0.736 Intermediate Similarity NPC119700
0.736 Intermediate Similarity NPC101130
0.736 Intermediate Similarity NPC129412
0.736 Intermediate Similarity NPC114033
0.736 Intermediate Similarity NPC58268
0.7358 Intermediate Similarity NPC126709
0.7358 Intermediate Similarity NPC248041
0.7354 Intermediate Similarity NPC78020
0.7354 Intermediate Similarity NPC154293
0.7351 Intermediate Similarity NPC469762
0.7347 Intermediate Similarity NPC280290
0.7344 Intermediate Similarity NPC267885
0.734 Intermediate Similarity NPC74413
0.734 Intermediate Similarity NPC42372
0.734 Intermediate Similarity NPC71132
0.7333 Intermediate Similarity NPC159125
0.733 Intermediate Similarity NPC477976
0.7323 Intermediate Similarity NPC321708
0.732 Intermediate Similarity NPC234403
0.732 Intermediate Similarity NPC79777
0.7317 Intermediate Similarity NPC476874
0.7313 Intermediate Similarity NPC181502
0.7313 Intermediate Similarity NPC85066
0.7312 Intermediate Similarity NPC80681
0.731 Intermediate Similarity NPC94752
0.731 Intermediate Similarity NPC315555
0.731 Intermediate Similarity NPC235684
0.7297 Intermediate Similarity NPC469785
0.7295 Intermediate Similarity NPC18661
0.7292 Intermediate Similarity NPC203468
0.7292 Intermediate Similarity NPC149155
0.7292 Intermediate Similarity NPC110500
0.7286 Intermediate Similarity NPC95783
0.7273 Intermediate Similarity NPC162860
0.7268 Intermediate Similarity NPC55772
0.7268 Intermediate Similarity NPC283219
0.7264 Intermediate Similarity NPC473821
0.7255 Intermediate Similarity NPC472297
0.7255 Intermediate Similarity NPC472296
0.725 Intermediate Similarity NPC476460
0.7241 Intermediate Similarity NPC473814
0.7241 Intermediate Similarity NPC78767
0.7233 Intermediate Similarity NPC123019
0.722 Intermediate Similarity NPC79129
0.722 Intermediate Similarity NPC313985
0.722 Intermediate Similarity NPC81654
0.722 Intermediate Similarity NPC49196
0.722 Intermediate Similarity NPC249150
0.722 Intermediate Similarity NPC195461
0.7216 Intermediate Similarity NPC145885
0.7216 Intermediate Similarity NPC14113
0.7216 Intermediate Similarity NPC84827
0.7212 Intermediate Similarity NPC175602
0.7208 Intermediate Similarity NPC477003
0.7208 Intermediate Similarity NPC228835
0.7206 Intermediate Similarity NPC50503
0.7202 Intermediate Similarity NPC473850
0.7202 Intermediate Similarity NPC475137
0.7202 Intermediate Similarity NPC475498
0.7194 Intermediate Similarity NPC470677
0.719 Intermediate Similarity NPC478158
0.719 Intermediate Similarity NPC61038
0.7189 Intermediate Similarity NPC469763
0.7189 Intermediate Similarity NPC469786
0.7189 Intermediate Similarity NPC259644
0.7189 Intermediate Similarity NPC25008
0.7189 Intermediate Similarity NPC469760
0.7189 Intermediate Similarity NPC73952
0.7189 Intermediate Similarity NPC469765
0.7186 Intermediate Similarity NPC477415
0.7186 Intermediate Similarity NPC474259
0.7186 Intermediate Similarity NPC23476
0.7179 Intermediate Similarity NPC6093
0.7178 Intermediate Similarity NPC304203
0.7177 Intermediate Similarity NPC54420
0.7173 Intermediate Similarity NPC70949
0.717 Intermediate Similarity NPC110182
0.7169 Intermediate Similarity NPC472762
0.7163 Intermediate Similarity NPC281049
0.7157 Intermediate Similarity NPC102755
0.7156 Intermediate Similarity NPC475165
0.7156 Intermediate Similarity NPC250807
0.7156 Intermediate Similarity NPC234999
0.7156 Intermediate Similarity NPC76565
0.7156 Intermediate Similarity NPC57797
0.7151 Intermediate Similarity NPC211572
0.7151 Intermediate Similarity NPC70922
0.7151 Intermediate Similarity NPC212376
0.7151 Intermediate Similarity NPC80597
0.7151 Intermediate Similarity NPC209362
0.7151 Intermediate Similarity NPC75540
0.715 Intermediate Similarity NPC34271
0.7143 Intermediate Similarity NPC93390
0.7143 Intermediate Similarity NPC182940
0.7136 Intermediate Similarity NPC229348
0.7129 Intermediate Similarity NPC472292
0.7128 Intermediate Similarity NPC111275
0.7123 Intermediate Similarity NPC82370
0.7123 Intermediate Similarity NPC250129
0.7121 Intermediate Similarity NPC207851
0.712 Intermediate Similarity NPC474561
0.712 Intermediate Similarity NPC49954
0.712 Intermediate Similarity NPC160105
0.7119 Intermediate Similarity NPC23215
0.7115 Intermediate Similarity NPC317701
0.7114 Intermediate Similarity NPC83111
0.7108 Intermediate Similarity NPC231342
0.7108 Intermediate Similarity NPC472293
0.7108 Intermediate Similarity NPC292361
0.7104 Intermediate Similarity NPC475362
0.7104 Intermediate Similarity NPC471190
0.7104 Intermediate Similarity NPC475644
0.7104 Intermediate Similarity NPC470486
0.7104 Intermediate Similarity NPC471977
0.7103 Intermediate Similarity NPC478157
0.7101 Intermediate Similarity NPC475506
0.71 Intermediate Similarity NPC278434
0.7094 Intermediate Similarity NPC326422
0.7083 Intermediate Similarity NPC63751
0.7081 Intermediate Similarity NPC473878
0.7079 Intermediate Similarity NPC14448
0.7079 Intermediate Similarity NPC64661
0.7079 Intermediate Similarity NPC98156
0.7079 Intermediate Similarity NPC138596
0.7079 Intermediate Similarity NPC195704
0.7079 Intermediate Similarity NPC167200
0.7079 Intermediate Similarity NPC200397
0.7079 Intermediate Similarity NPC292434
0.7073 Intermediate Similarity NPC167710
0.707 Intermediate Similarity NPC471192
0.707 Intermediate Similarity NPC477909
0.707 Intermediate Similarity NPC477907
0.707 Intermediate Similarity NPC42678
0.7067 Intermediate Similarity NPC328596
0.7067 Intermediate Similarity NPC328318

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477045 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
0.7737 Intermediate Similarity NPD3178 Discontinued
0.7488 Intermediate Similarity NPD7187 Phase 2
0.7488 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD6026 Approved
0.7474 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7385 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.7344 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD5901 Discontinued
0.7292 Intermediate Similarity NPD482 Approved
0.7287 Intermediate Similarity NPD6635 Approved
0.7245 Intermediate Similarity NPD2092 Phase 2
0.7245 Intermediate Similarity NPD2095 Phase 2
0.7245 Intermediate Similarity NPD2094 Phase 2
0.7225 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD6376 Discontinued
0.722 Intermediate Similarity NPD4600 Approved
0.722 Intermediate Similarity NPD4601 Approved
0.7212 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7957 Phase 1
0.7208 Intermediate Similarity NPD2091 Phase 2
0.7208 Intermediate Similarity NPD2096 Phase 2
0.7183 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD7707 Approved
0.715 Intermediate Similarity NPD7233 Approved
0.715 Intermediate Similarity NPD7234 Approved
0.7143 Intermediate Similarity NPD7191 Phase 2
0.7136 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD4079 Approved
0.7092 Intermediate Similarity NPD4076 Approved
0.7081 Intermediate Similarity NPD5426 Phase 3
0.7079 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD7825 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD3393 Approved
0.707 Intermediate Similarity NPD3389 Approved
0.707 Intermediate Similarity NPD3394 Approved
0.7068 Intermediate Similarity NPD1568 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD5721 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD750 Phase 2
0.7062 Intermediate Similarity NPD2509 Approved
0.7062 Intermediate Similarity NPD2510 Approved
0.7059 Intermediate Similarity NPD7944 Discontinued
0.7059 Intermediate Similarity NPD5975 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7618 Phase 3
0.7059 Intermediate Similarity NPD7619 Phase 3
0.7056 Intermediate Similarity NPD6595 Phase 3
0.7042 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD7470 Discontinued
0.7042 Intermediate Similarity NPD7927 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD3505 Approved
0.7041 Intermediate Similarity NPD3506 Approved
0.7016 Intermediate Similarity NPD1631 Approved
0.7015 Intermediate Similarity NPD8431 Approved
0.7 Intermediate Similarity NPD6987 Phase 1
0.7 Intermediate Similarity NPD8114 Approved
0.7 Intermediate Similarity NPD8115 Approved
0.6995 Remote Similarity NPD6630 Clinical (unspecified phase)
0.699 Remote Similarity NPD6664 Approved
0.699 Remote Similarity NPD3238 Discontinued
0.6967 Remote Similarity NPD4862 Clinical (unspecified phase)
0.6959 Remote Similarity NPD1573 Approved
0.6959 Remote Similarity NPD4184 Clinical (unspecified phase)
0.6959 Remote Similarity NPD1575 Approved
0.6954 Remote Similarity NPD2753 Discontinued
0.6934 Remote Similarity NPD8493 Clinical (unspecified phase)
0.6934 Remote Similarity NPD6838 Clinical (unspecified phase)
0.6931 Remote Similarity NPD276 Clinical (unspecified phase)
0.6898 Remote Similarity NPD8094 Discontinued
0.6887 Remote Similarity NPD7010 Phase 3
0.6884 Remote Similarity NPD2479 Phase 3
0.6884 Remote Similarity NPD2481 Approved
0.6881 Remote Similarity NPD8000 Clinical (unspecified phase)
0.6878 Remote Similarity NPD6995 Phase 1
0.6872 Remote Similarity NPD6176 Phase 1
0.6872 Remote Similarity NPD2121 Clinical (unspecified phase)
0.6869 Remote Similarity NPD2144 Approved
0.6859 Remote Similarity NPD1630 Approved
0.6857 Remote Similarity NPD7817 Phase 1
0.6852 Remote Similarity NPD8093 Discontinued
0.685 Remote Similarity NPD3038 Discontinued
0.6842 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6837 Remote Similarity NPD4051 Discontinued
0.6832 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6823 Remote Similarity NPD2511 Approved
0.6821 Remote Similarity NPD5069 Clinical (unspecified phase)
0.6806 Remote Similarity NPD4614 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7070 Clinical (unspecified phase)
0.6792 Remote Similarity NPD8072 Approved
0.6787 Remote Similarity NPD6242 Discontinued
0.6784 Remote Similarity NPD6203 Clinical (unspecified phase)
0.6782 Remote Similarity NPD6178 Phase 3
0.6782 Remote Similarity NPD7564 Discontinued
0.678 Remote Similarity NPD4499 Approved
0.6779 Remote Similarity NPD6226 Phase 3
0.6777 Remote Similarity NPD7903 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7727 Phase 2
0.6773 Remote Similarity NPD8405 Clinical (unspecified phase)
0.677 Remote Similarity NPD7824 Approved
0.6768 Remote Similarity NPD5065 Approved
0.6766 Remote Similarity NPD1783 Clinical (unspecified phase)
0.6765 Remote Similarity NPD3961 Discontinued
0.6762 Remote Similarity NPD7621 Clinical (unspecified phase)
0.6761 Remote Similarity NPD8272 Phase 2
0.6754 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6734 Remote Similarity NPD4075 Phase 2
0.6733 Remote Similarity NPD3319 Phase 1
0.6733 Remote Similarity NPD3320 Approved
0.6733 Remote Similarity NPD3318 Approved
0.6732 Remote Similarity NPD8110 Clinical (unspecified phase)
0.673 Remote Similarity NPD484 Approved
0.6718 Remote Similarity NPD5744 Clinical (unspecified phase)
0.6716 Remote Similarity NPD5473 Discontinued
0.6711 Remote Similarity NPD8289 Discontinued
0.6702 Remote Similarity NPD4702 Approved
0.6702 Remote Similarity NPD4703 Approved
0.67 Remote Similarity NPD1096 Discontinued
0.6699 Remote Similarity NPD4848 Phase 1
0.6697 Remote Similarity NPD7594 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6850 Phase 2
0.6696 Remote Similarity NPD6849 Phase 2
0.6684 Remote Similarity NPD2214 Approved
0.6684 Remote Similarity NPD6446 Discontinued
0.6684 Remote Similarity NPD2213 Approved
0.6683 Remote Similarity NPD3486 Clinical (unspecified phase)
0.6682 Remote Similarity NPD8169 Discontinued
0.6682 Remote Similarity NPD6999 Discontinued
0.6682 Remote Similarity NPD6204 Clinical (unspecified phase)
0.6682 Remote Similarity NPD3947 Discontinued
0.6682 Remote Similarity NPD3247 Clinical (unspecified phase)
0.6682 Remote Similarity NPD6288 Clinical (unspecified phase)
0.6682 Remote Similarity NPD7000 Clinical (unspecified phase)
0.6681 Remote Similarity NPD8468 Phase 2
0.6681 Remote Similarity NPD7952 Approved
0.6681 Remote Similarity NPD7790 Approved
0.6681 Remote Similarity NPD7953 Approved
0.6681 Remote Similarity NPD7791 Approved
0.6681 Remote Similarity NPD7730 Approved
0.6681 Remote Similarity NPD7951 Approved
0.6681 Remote Similarity NPD7789 Approved
0.6681 Remote Similarity NPD7731 Approved
0.6681 Remote Similarity NPD7950 Approved
0.6667 Remote Similarity NPD7271 Approved
0.6667 Remote Similarity NPD8073 Approved
0.6667 Remote Similarity NPD1587 Approved
0.6667 Remote Similarity NPD6555 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3794 Approved
0.6667 Remote Similarity NPD3583 Phase 2
0.6667 Remote Similarity NPD3795 Approved
0.6667 Remote Similarity NPD5088 Discontinued
0.6651 Remote Similarity NPD8641 Approved
0.6651 Remote Similarity NPD6732 Clinical (unspecified phase)
0.6651 Remote Similarity NPD6479 Discontinued
0.6651 Remote Similarity NPD7001 Phase 3
0.665 Remote Similarity NPD6068 Discontinued
0.665 Remote Similarity NPD4640 Approved
0.665 Remote Similarity NPD4639 Approved
0.665 Remote Similarity NPD4638 Approved
0.665 Remote Similarity NPD6375 Clinical (unspecified phase)
0.665 Remote Similarity NPD7401 Clinical (unspecified phase)
0.6649 Remote Similarity NPD180 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7204 Clinical (unspecified phase)
0.6634 Remote Similarity NPD5820 Clinical (unspecified phase)
0.6634 Remote Similarity NPD1291 Clinical (unspecified phase)
0.6632 Remote Similarity NPD2172 Phase 1
0.6631 Remote Similarity NPD751 Clinical (unspecified phase)
0.663 Remote Similarity NPD2896 Discontinued
0.663 Remote Similarity NPD1627 Clinical (unspecified phase)
0.6622 Remote Similarity NPD6578 Clinical (unspecified phase)
0.662 Remote Similarity NPD5017 Discontinued
0.6617 Remote Similarity NPD4181 Approved
0.6617 Remote Similarity NPD8123 Approved
0.6617 Remote Similarity NPD8122 Approved
0.6615 Remote Similarity NPD5257 Clinical (unspecified phase)
0.6605 Remote Similarity NPD6323 Clinical (unspecified phase)
0.6604 Remote Similarity NPD7308 Discontinued
0.6602 Remote Similarity NPD6791 Phase 2
0.66 Remote Similarity NPD4883 Approved
0.66 Remote Similarity NPD2928 Phase 2
0.6595 Remote Similarity NPD569 Clinical (unspecified phase)
0.6594 Remote Similarity NPD7688 Phase 1
0.6593 Remote Similarity NPD7269 Clinical (unspecified phase)
0.6588 Remote Similarity NPD7948 Phase 1
0.6587 Remote Similarity NPD2336 Approved
0.6582 Remote Similarity NPD3323 Discontinued
0.658 Remote Similarity NPD2580 Discontinued
0.6578 Remote Similarity NPD3717 Discontinued
0.6574 Remote Similarity NPD7289 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7024 Clinical (unspecified phase)
0.6566 Remote Similarity NPD2844 Phase 3
0.6564 Remote Similarity NPD7603 Discontinued
0.6561 Remote Similarity NPD6148 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6619 Phase 3
0.6555 Remote Similarity NPD4922 Phase 2
0.6545 Remote Similarity NPD7454 Approved
0.6545 Remote Similarity NPD7455 Approved
0.6545 Remote Similarity NPD2411 Approved
0.6544 Remote Similarity NPD8410 Clinical (unspecified phase)
0.6537 Remote Similarity NPD7483 Phase 2

Structure

External Identifiers

PubChem CID   49864212
ChEMBL   CHEMBL1215752
ZINC  

Physicochemical Properties

Molecular Weight:  409.30
ALogP:  0.9596
MLogP:  4.1
XLogP:  7.446
# Rotatable Bonds:  8
Polar Surface Area:  53.09
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  30

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Biological Activities  
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