Natural Product: NPC158208

Natural Product ID:  NPC158208
Common Name:   Cholestane-3Beta,5Alpha,6Beta,7Beta-Tetrol
IUPAC Name:   (3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,7-tetrol
Synonyms:   Cholestane-3b,5a,6b,7b-tetrol
Molecular Formula:   C27H48O4
Standard InCHIKey:  XOUZTYUNBKJPDT-HTYANLOZSA-N
Standard InCHI:  InChI=1S/C27H48O4/c1-16(2)7-6-8-17(3)19-9-10-20-22-21(12-13-25(19,20)4)26(5)14-11-18(28)15-27(26,31)24(30)23(22)29/h16-24,28-31H,6-15H2,1-5H3/t17-,18+,19-,20+,21+,22+,23-,24-,25-,26-,27+/m1/s1
Canonical SMILES:  CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2[C@@H](O)[C@H]([C@@]2([C@]1(C)CC[C@@H](C2)O)O)O)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
NPO4070 Eupatorium sternbergianum Species Asteraceae Eukaryota UNPD*
NPO9839 Polanisia dodecandra Species Cleomaceae Eukaryota UNPD*
NPO5270 Citrus natsudaidai Species Rutaceae Eukaryota UNPD*
NPO10954 Topsentia genitrix Species NA Eukaryota UNPD*
NPO6821 Tricholoma muscarium Species Tricholomataceae Eukaryota UNPD*
NPO12496 Elsholtzia blanda Species Lamiaceae Eukaryota UNPD*
NPO27241 Prunus tomentosa Species Rosaceae Eukaryota UNPD*
NPO9636 Micromonospora coerulea Species Micromonosporaceae Bacteria UNPD*
NPO11588 Astragalus sevangensis Species Fabaceae Eukaryota UNPD*
NPO5679 Topsentia roquensis Species NA Eukaryota UNPD*
NPO1260 Chlorosplenium aeruginosum NA NA NA UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens IC50 = 13900 nM 21797280
NPT2 Others Unspecified IC50 = 21400 nM 21797280
NPT139 Cell Line HT-29 Homo sapiens Ratio IC50 = 1.54 21797280
NPT1358 Cell Line LAMA-84 Homo sapiens IC50 = 5100 nM 21797280
NPT83 Cell Line MCF7 Homo sapiens IC50 = 13100 nM 21797280
NPT519 Cell Line SH-SY5Y Homo sapiens IC50 = 20200 nM 21797280
NPT65 Cell Line HepG2 Homo sapiens IC50 = 13800 nM 21797280
NPT81 Cell Line A549 Homo sapiens IC50 = 17300 nM 21797280
NPT306 Cell Line PC-3 Homo sapiens IC50 = 17400 nM 21797280
NPT1160 Cell Line BJ Homo sapiens IC50 = 19300 nM 21797280

  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 NPC158208 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
1.0 High Similarity NPC243027
1.0 High Similarity NPC196136
0.9855 High Similarity NPC10476
0.9855 High Similarity NPC192501
0.9855 High Similarity NPC228994
0.9718 High Similarity NPC105208
0.9718 High Similarity NPC302578
0.9718 High Similarity NPC192046
0.9718 High Similarity NPC128951
0.9718 High Similarity NPC477227
0.9583 High Similarity NPC67657
0.9583 High Similarity NPC147993
0.9583 High Similarity NPC18857
0.9577 High Similarity NPC163597
0.9444 High Similarity NPC185915
0.9437 High Similarity NPC317242
0.9296 High Similarity NPC304499
0.9275 High Similarity NPC107919
0.9275 High Similarity NPC470833
0.9275 High Similarity NPC66407
0.9189 High Similarity NPC477282
0.9189 High Similarity NPC287452
0.9189 High Similarity NPC81074
0.9155 High Similarity NPC470610
0.9155 High Similarity NPC153719
0.9079 High Similarity NPC60018
0.9079 High Similarity NPC154043
0.9079 High Similarity NPC202688
0.9067 High Similarity NPC16449
0.9028 High Similarity NPC48795
0.9014 High Similarity NPC127094
0.9014 High Similarity NPC1340
0.9014 High Similarity NPC187471
0.9014 High Similarity NPC470071
0.9014 High Similarity NPC252182
0.8961 High Similarity NPC216420
0.8961 High Similarity NPC85095
0.8961 High Similarity NPC211135
0.8961 High Similarity NPC478054
0.8933 High Similarity NPC269333
0.8919 High Similarity NPC133596
0.8919 High Similarity NPC474574
0.8919 High Similarity NPC11907
0.8919 High Similarity NPC64081
0.8873 High Similarity NPC231945
0.8873 High Similarity NPC63588
0.8873 High Similarity NPC251201
0.8873 High Similarity NPC192192
0.8873 High Similarity NPC232925
0.8846 High Similarity NPC320824
0.8784 High Similarity NPC477602
0.8784 High Similarity NPC477601
0.8784 High Similarity NPC473916
0.8734 High Similarity NPC266651
0.8732 High Similarity NPC477820
0.8732 High Similarity NPC241085
0.8732 High Similarity NPC254037
0.8732 High Similarity NPC470830
0.8732 High Similarity NPC299948
0.8732 High Similarity NPC129829
0.8696 High Similarity NPC472946
0.8649 High Similarity NPC270306
0.8649 High Similarity NPC91387
0.8649 High Similarity NPC231680
0.8625 High Similarity NPC121981
0.8592 High Similarity NPC472741
0.8592 High Similarity NPC474756
0.859 High Similarity NPC475388
0.8553 High Similarity NPC471769
0.8519 High Similarity NPC263802
0.8514 High Similarity NPC475458
0.8493 Intermediate Similarity NPC100586
0.8493 Intermediate Similarity NPC131506
0.8493 Intermediate Similarity NPC157777
0.8493 Intermediate Similarity NPC109457
0.8493 Intermediate Similarity NPC157422
0.8472 Intermediate Similarity NPC99264
0.8451 Intermediate Similarity NPC48079
0.8451 Intermediate Similarity NPC475884
0.8451 Intermediate Similarity NPC473230
0.8451 Intermediate Similarity NPC63190
0.8421 Intermediate Similarity NPC476233
0.8406 Intermediate Similarity NPC114891
0.8395 Intermediate Similarity NPC155531
0.8395 Intermediate Similarity NPC215968
0.8378 Intermediate Similarity NPC473238
0.8378 Intermediate Similarity NPC472341
0.8375 Intermediate Similarity NPC255882
0.8356 Intermediate Similarity NPC282454
0.8354 Intermediate Similarity NPC121121
0.8313 Intermediate Similarity NPC109744
0.8312 Intermediate Similarity NPC31828
0.831 Intermediate Similarity NPC44122
0.831 Intermediate Similarity NPC142712
0.8293 Intermediate Similarity NPC477600
0.8289 Intermediate Similarity NPC470145
0.8286 Intermediate Similarity NPC94897
0.8272 Intermediate Similarity NPC290612
0.8267 Intermediate Similarity NPC470151
0.8261 Intermediate Similarity NPC148174
0.8261 Intermediate Similarity NPC218585
0.8261 Intermediate Similarity NPC71460
0.825 Intermediate Similarity NPC232023
0.825 Intermediate Similarity NPC470070
0.825 Intermediate Similarity NPC477285
0.825 Intermediate Similarity NPC111582
0.8243 Intermediate Similarity NPC323900
0.8243 Intermediate Similarity NPC477822
0.8243 Intermediate Similarity NPC477823
0.8243 Intermediate Similarity NPC324984
0.8243 Intermediate Similarity NPC473552
0.8243 Intermediate Similarity NPC478103
0.8243 Intermediate Similarity NPC477821
0.8214 Intermediate Similarity NPC475751
0.8214 Intermediate Similarity NPC473956
0.8193 Intermediate Similarity NPC473436
0.8193 Intermediate Similarity NPC128475
0.8171 Intermediate Similarity NPC477283
0.8171 Intermediate Similarity NPC471240
0.8169 Intermediate Similarity NPC260116
0.8169 Intermediate Similarity NPC474380
0.8169 Intermediate Similarity NPC41577
0.8169 Intermediate Similarity NPC473276
0.8169 Intermediate Similarity NPC475943
0.8169 Intermediate Similarity NPC243469
0.8169 Intermediate Similarity NPC190827
0.8158 Intermediate Similarity NPC472952
0.8158 Intermediate Similarity NPC139765
0.8158 Intermediate Similarity NPC131584
0.8158 Intermediate Similarity NPC472950
0.8148 Intermediate Similarity NPC50438
0.8125 Intermediate Similarity NPC477286
0.8125 Intermediate Similarity NPC286719
0.8118 Intermediate Similarity NPC293609
0.8118 Intermediate Similarity NPC219516
0.8101 Intermediate Similarity NPC475679
0.8082 Intermediate Similarity NPC469987
0.8082 Intermediate Similarity NPC475893
0.8077 Intermediate Similarity NPC471045
0.8072 Intermediate Similarity NPC140446
0.8072 Intermediate Similarity NPC161928
0.8072 Intermediate Similarity NPC186145
0.8072 Intermediate Similarity NPC43912
0.8072 Intermediate Similarity NPC202937
0.8072 Intermediate Similarity NPC210658
0.8072 Intermediate Similarity NPC474657
0.8072 Intermediate Similarity NPC5943
0.8052 Intermediate Similarity NPC91573
0.8049 Intermediate Similarity NPC232044
0.8049 Intermediate Similarity NPC273290
0.8028 Intermediate Similarity NPC281540
0.8028 Intermediate Similarity NPC167995
0.8028 Intermediate Similarity NPC118937
0.8028 Intermediate Similarity NPC159654
0.8028 Intermediate Similarity NPC69149
0.8026 Intermediate Similarity NPC478130
0.8025 Intermediate Similarity NPC470929
0.8025 Intermediate Similarity NPC207013
0.8023 Intermediate Similarity NPC277774
0.8 Intermediate Similarity NPC8004
0.8 Intermediate Similarity NPC190940
0.8 Intermediate Similarity NPC473279
0.8 Intermediate Similarity NPC127283
0.8 Intermediate Similarity NPC195530
0.8 Intermediate Similarity NPC279329
0.8 Intermediate Similarity NPC73515
0.7976 Intermediate Similarity NPC475664
0.7975 Intermediate Similarity NPC80297
0.7975 Intermediate Similarity NPC220379
0.7975 Intermediate Similarity NPC472742
0.7975 Intermediate Similarity NPC116119
0.7975 Intermediate Similarity NPC476176
0.7975 Intermediate Similarity NPC475727
0.7952 Intermediate Similarity NPC6605
0.7952 Intermediate Similarity NPC131365
0.7952 Intermediate Similarity NPC476727
0.7952 Intermediate Similarity NPC269058
0.7952 Intermediate Similarity NPC71520
0.7952 Intermediate Similarity NPC472272
0.7952 Intermediate Similarity NPC476726
0.7952 Intermediate Similarity NPC201273
0.7949 Intermediate Similarity NPC212453
0.7945 Intermediate Similarity NPC204233
0.7931 Intermediate Similarity NPC113500
0.7931 Intermediate Similarity NPC477224
0.7931 Intermediate Similarity NPC3538
0.7927 Intermediate Similarity NPC227260
0.7927 Intermediate Similarity NPC86238
0.7922 Intermediate Similarity NPC3403
0.7907 Intermediate Similarity NPC275671
0.7907 Intermediate Similarity NPC36372
0.7901 Intermediate Similarity NPC470611
0.7901 Intermediate Similarity NPC477446
0.7901 Intermediate Similarity NPC470155
0.7901 Intermediate Similarity NPC477447
0.7901 Intermediate Similarity NPC7988
0.7887 Intermediate Similarity NPC249078
0.7887 Intermediate Similarity NPC236099
0.7887 Intermediate Similarity NPC209686
0.7882 Intermediate Similarity NPC473472

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC158208 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
0.9275 High Similarity NPD4267 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD4787 Phase 1
0.7848 Intermediate Similarity NPD6697 Approved
0.7848 Intermediate Similarity NPD6118 Approved
0.7848 Intermediate Similarity NPD6115 Approved
0.7848 Intermediate Similarity NPD6114 Approved
0.7722 Intermediate Similarity NPD6116 Phase 1
0.7654 Intermediate Similarity NPD7525 Registered
0.7595 Intermediate Similarity NPD6117 Approved
0.7534 Intermediate Similarity NPD371 Approved
0.7532 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD3703 Phase 2
0.7439 Intermediate Similarity NPD6928 Phase 2
0.7342 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD8171 Discontinued
0.7143 Intermediate Similarity NPD5360 Phase 3
0.7143 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4245 Approved
0.6962 Remote Similarity NPD4244 Approved
0.6962 Remote Similarity NPD4789 Approved
0.6854 Remote Similarity NPD7524 Approved
0.6835 Remote Similarity NPD3698 Phase 2
0.6813 Remote Similarity NPD6701 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6700 Approved
0.6753 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6702 Approved
0.6739 Remote Similarity NPD6703 Approved
0.6705 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4758 Discontinued
0.6629 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6628 Remote Similarity NPD6931 Approved
0.6628 Remote Similarity NPD6930 Phase 2
0.6627 Remote Similarity NPD6942 Approved
0.6627 Remote Similarity NPD7339 Approved
0.6591 Remote Similarity NPD6695 Phase 3
0.6588 Remote Similarity NPD5364 Discontinued
0.6588 Remote Similarity NPD3671 Phase 1
0.6548 Remote Similarity NPD6933 Approved
0.6543 Remote Similarity NPD7532 Clinical (unspecified phase)
0.6512 Remote Similarity NPD6929 Approved
0.6512 Remote Similarity NPD7645 Phase 2
0.65 Remote Similarity NPD8170 Clinical (unspecified phase)
0.65 Remote Similarity NPD6705 Phase 1
0.6471 Remote Similarity NPD6932 Approved
0.6463 Remote Similarity NPD6081 Approved
0.6437 Remote Similarity NPD4748 Discontinued
0.6383 Remote Similarity NPD8035 Phase 2
0.6383 Remote Similarity NPD8034 Phase 2
0.6354 Remote Similarity NPD7991 Discontinued
0.6353 Remote Similarity NPD3701 Clinical (unspecified phase)
0.633 Remote Similarity NPD7516 Approved
0.6322 Remote Similarity NPD6683 Phase 2
0.631 Remote Similarity NPD6926 Approved
0.631 Remote Similarity NPD1810 Approved
0.631 Remote Similarity NPD6924 Approved
0.631 Remote Similarity NPD1811 Approved
0.6304 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6304 Remote Similarity NPD7750 Discontinued
0.6279 Remote Similarity NPD5776 Phase 2
0.6279 Remote Similarity NPD6925 Approved
0.6264 Remote Similarity NPD6893 Approved
0.6263 Remote Similarity NPD8418 Phase 2
0.625 Remote Similarity NPD4224 Phase 2
0.625 Remote Similarity NPD7514 Phase 3
0.6239 Remote Similarity NPD7328 Approved
0.6239 Remote Similarity NPD7327 Approved
0.6235 Remote Similarity NPD3702 Approved
0.6232 Remote Similarity NPD384 Approved
0.6232 Remote Similarity NPD385 Approved
0.6224 Remote Similarity NPD4755 Approved
0.6222 Remote Similarity NPD4788 Approved
0.6207 Remote Similarity NPD7145 Approved
0.62 Remote Similarity NPD4159 Approved
0.6196 Remote Similarity NPD8308 Discontinued
0.619 Remote Similarity NPD4634 Approved
0.617 Remote Similarity NPD5328 Approved
0.6162 Remote Similarity NPD7638 Approved
0.6154 Remote Similarity NPD4786 Approved
0.6154 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6146 Remote Similarity NPD4202 Approved
0.61 Remote Similarity NPD5286 Approved
0.61 Remote Similarity NPD5285 Approved
0.61 Remote Similarity NPD4700 Approved
0.61 Remote Similarity NPD4696 Approved
0.61 Remote Similarity NPD7640 Approved
0.61 Remote Similarity NPD7639 Approved
0.6095 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6087 Remote Similarity NPD386 Approved
0.6087 Remote Similarity NPD388 Approved
0.6071 Remote Similarity NPD8296 Approved
0.6071 Remote Similarity NPD8380 Approved
0.6071 Remote Similarity NPD4243 Approved
0.6071 Remote Similarity NPD8335 Approved
0.6071 Remote Similarity NPD5777 Approved
0.6071 Remote Similarity NPD8379 Approved
0.6071 Remote Similarity NPD8378 Approved
0.6067 Remote Similarity NPD7509 Discontinued
0.6067 Remote Similarity NPD7332 Phase 2
0.6061 Remote Similarity NPD7919 Phase 3
0.6061 Remote Similarity NPD7920 Phase 3
0.6042 Remote Similarity NPD7087 Discontinued
0.6042 Remote Similarity NPD6079 Approved
0.604 Remote Similarity NPD1700 Approved
0.6022 Remote Similarity NPD3618 Phase 1
0.6019 Remote Similarity NPD8133 Approved
0.6 Remote Similarity NPD6898 Phase 1
0.6 Remote Similarity NPD8088 Phase 1
0.6 Remote Similarity NPD6902 Approved
0.5982 Remote Similarity NPD8377 Approved
0.5982 Remote Similarity NPD8294 Approved
0.598 Remote Similarity NPD4633 Approved
0.598 Remote Similarity NPD5211 Phase 2
0.598 Remote Similarity NPD5225 Approved
0.598 Remote Similarity NPD7632 Discontinued
0.598 Remote Similarity NPD5226 Approved
0.598 Remote Similarity NPD5224 Approved
0.5962 Remote Similarity NPD7128 Approved
0.5962 Remote Similarity NPD6402 Approved
0.5962 Remote Similarity NPD6675 Approved
0.5962 Remote Similarity NPD5739 Approved
0.5952 Remote Similarity NPD2686 Approved
0.5952 Remote Similarity NPD2687 Approved
0.5952 Remote Similarity NPD2254 Approved
0.5934 Remote Similarity NPD3667 Approved
0.593 Remote Similarity NPD4785 Approved
0.593 Remote Similarity NPD4784 Approved
0.5929 Remote Similarity NPD8033 Approved
0.5922 Remote Similarity NPD5174 Approved
0.5922 Remote Similarity NPD5175 Approved
0.5909 Remote Similarity NPD6940 Discontinued
0.5882 Remote Similarity NPD7152 Approved
0.5882 Remote Similarity NPD7151 Approved
0.5882 Remote Similarity NPD7150 Approved
0.5882 Remote Similarity NPD5223 Approved
0.5872 Remote Similarity NPD4632 Approved
0.5865 Remote Similarity NPD5141 Approved
0.5849 Remote Similarity NPD6881 Approved
0.5849 Remote Similarity NPD7320 Approved
0.5849 Remote Similarity NPD6899 Approved
0.5849 Remote Similarity NPD8174 Phase 2
0.5833 Remote Similarity NPD6922 Approved
0.5833 Remote Similarity NPD4753 Phase 2
0.5833 Remote Similarity NPD6923 Approved
0.5816 Remote Similarity NPD6399 Phase 3
0.581 Remote Similarity NPD4767 Approved
0.581 Remote Similarity NPD4768 Approved
0.58 Remote Similarity NPD5220 Clinical (unspecified phase)
0.58 Remote Similarity NPD5221 Approved
0.58 Remote Similarity NPD4697 Phase 3
0.58 Remote Similarity NPD5222 Approved
0.5794 Remote Similarity NPD6373 Approved
0.5794 Remote Similarity NPD6372 Approved
0.5794 Remote Similarity NPD8132 Clinical (unspecified phase)
0.578 Remote Similarity NPD8297 Approved
0.5769 Remote Similarity NPD4754 Approved
0.5765 Remote Similarity NPD7143 Approved
0.5765 Remote Similarity NPD7144 Approved
0.5755 Remote Similarity NPD5701 Approved
0.5755 Remote Similarity NPD5697 Approved
0.5755 Remote Similarity NPD6412 Phase 2
0.5743 Remote Similarity NPD5173 Approved
0.5741 Remote Similarity NPD7102 Approved
0.5741 Remote Similarity NPD7290 Approved
0.5741 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5741 Remote Similarity NPD6883 Approved
0.5726 Remote Similarity NPD7507 Approved
0.5714 Remote Similarity NPD7319 Approved
0.5714 Remote Similarity NPD7515 Phase 2
0.5702 Remote Similarity NPD6059 Approved
0.5702 Remote Similarity NPD6054 Approved
0.5702 Remote Similarity NPD6319 Approved
0.5701 Remote Similarity NPD4730 Approved
0.5701 Remote Similarity NPD5128 Approved
0.5701 Remote Similarity NPD4729 Approved
0.5699 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5699 Remote Similarity NPD3669 Approved
0.5688 Remote Similarity NPD6847 Approved
0.5688 Remote Similarity NPD6650 Approved
0.5688 Remote Similarity NPD6869 Approved
0.5688 Remote Similarity NPD6649 Approved
0.5688 Remote Similarity NPD6617 Approved
0.5688 Remote Similarity NPD8130 Phase 1
0.5682 Remote Similarity NPD4190 Phase 3
0.5682 Remote Similarity NPD5275 Approved
0.566 Remote Similarity NPD6920 Discontinued
0.5652 Remote Similarity NPD7503 Approved
0.5648 Remote Similarity NPD6014 Approved
0.5648 Remote Similarity NPD6012 Approved
0.5648 Remote Similarity NPD6013 Approved
0.5638 Remote Similarity NPD3666 Approved
0.5638 Remote Similarity NPD3665 Phase 1
0.5638 Remote Similarity NPD3133 Approved
0.5636 Remote Similarity NPD6882 Approved
0.5604 Remote Similarity NPD4195 Approved
0.5603 Remote Similarity NPD6370 Approved

Structure

External Identifiers

PubChem CID   56678658
ChEMBL   CHEMBL1825079
ZINC  

Physicochemical Properties

Molecular Weight:  436.36
ALogP:  -0.3532
MLogP:  3.99
XLogP:  8.194
# Rotatable Bonds:  14
Polar Surface Area:  80.92
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  31

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs