Natural Product: NPC471771

Natural Product ID:  NPC471771
Common Name:   2-(3-{3,12-Di-Sec-Butyl-6,9-Bis-[2-(4-Hydroxy-Phenyl)-Ethyl]-7-Methyl-2,5,8,11,14-Pentaoxo-1,4,7,10,13Pentaaza-Cyclononadec-15-Yl}-Ureido)-3-(4-Hydroxy-Phenyl)-Propionic Acid
IUPAC Name:   2-[[(3S,6S,9S,12S,15R)-3,12-bis[(2S)-butan-2-yl]-6,9-bis[2-(4-hydroxyphenyl)ethyl]-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
Synonyms:  
Molecular Formula:   C49H67N7O11
Standard InCHIKey:  HXYYQLNMRLHXGK-RYYJQIQOSA-N
Standard InCHI:  InChI=1S/C49H67N7O11/c1-6-29(3)41-45(62)50-27-9-8-10-37(52-49(67)53-39(48(65)66)28-33-15-23-36(59)24-16-33)43(60)54-42(30(4)7-2)46(63)51-38(25-17-31-11-19-34(57)20-12-31)47(64)56(5)40(44(61)55-41)26-18-32-13-21-35(58)22-14-32/h11-16,19-24,29-30,37-42,57-59H,6-10,17-18,25-28H2,1-5H3,(H,50,62)(H,51,63)(H,54,60)(H,55,61)(H,65,66)(H2,52,53,67)/t29-,30-,37+,38-,39?,40-,41-,42-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H]1N=C(O)[C@@H](CCCCN=C([C@@H](N=C([C@@H](N(C(=O)[C@@H](N=C1O)CCc1ccc(cc1)O)C)CCc1ccc(cc1)O)O)[C@H](CC)C)O)N=C(NC(C(=O)O)Cc1ccc(cc1)O)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
NPO32547.3 oscillatoria agardhii Under-species NA NA PMID[10340607]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 0.0018 ug/ml 25412465

  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 NPC471771 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 NPC304074
1.0 High Similarity NPC290755
0.9933 High Similarity NPC223207
0.9733 High Similarity NPC469243
0.9733 High Similarity NPC475544
0.9554 High Similarity NPC196243
0.9467 High Similarity NPC473580
0.9299 High Similarity NPC274198
0.9299 High Similarity NPC276506
0.9299 High Similarity NPC198254
0.8788 High Similarity NPC153554
0.8766 High Similarity NPC233702
0.8571 High Similarity NPC63931
0.8533 High Similarity NPC132636
0.8485 Intermediate Similarity NPC475532
0.8466 Intermediate Similarity NPC328649
0.8434 Intermediate Similarity NPC165285
0.8387 Intermediate Similarity NPC16188
0.8382 Intermediate Similarity NPC240130
0.8382 Intermediate Similarity NPC61332
0.8372 Intermediate Similarity NPC94862
0.8303 Intermediate Similarity NPC280022
0.8303 Intermediate Similarity NPC129486
0.8284 Intermediate Similarity NPC97526
0.8284 Intermediate Similarity NPC119652
0.8267 Intermediate Similarity NPC244866
0.8263 Intermediate Similarity NPC306804
0.8239 Intermediate Similarity NPC302715
0.8239 Intermediate Similarity NPC202198
0.8214 Intermediate Similarity NPC155506
0.8214 Intermediate Similarity NPC17698
0.8214 Intermediate Similarity NPC159767
0.82 Intermediate Similarity NPC326966
0.8187 Intermediate Similarity NPC473404
0.8182 Intermediate Similarity NPC61004
0.8133 Intermediate Similarity NPC141957
0.811 Intermediate Similarity NPC241794
0.8095 Intermediate Similarity NPC89831
0.8095 Intermediate Similarity NPC230611
0.807 Intermediate Similarity NPC269750
0.807 Intermediate Similarity NPC194671
0.807 Intermediate Similarity NPC45037
0.8067 Intermediate Similarity NPC325651
0.8065 Intermediate Similarity NPC476989
0.8047 Intermediate Similarity NPC248670
0.8047 Intermediate Similarity NPC137627
0.8047 Intermediate Similarity NPC273755
0.8036 Intermediate Similarity NPC46009
0.8024 Intermediate Similarity NPC107938
0.8024 Intermediate Similarity NPC294516
0.8024 Intermediate Similarity NPC209463
0.8 Intermediate Similarity NPC473402
0.8 Intermediate Similarity NPC279871
0.8 Intermediate Similarity NPC158277
0.8 Intermediate Similarity NPC476227
0.7989 Intermediate Similarity NPC294951
0.7988 Intermediate Similarity NPC319320
0.7988 Intermediate Similarity NPC287757
0.7961 Intermediate Similarity NPC257390
0.7953 Intermediate Similarity NPC50016
0.7929 Intermediate Similarity NPC40234
0.791 Intermediate Similarity NPC102959
0.7901 Intermediate Similarity NPC56685
0.7895 Intermediate Similarity NPC473354
0.7895 Intermediate Similarity NPC26108
0.7888 Intermediate Similarity NPC473491
0.7885 Intermediate Similarity NPC48202
0.7867 Intermediate Similarity NPC477937
0.7865 Intermediate Similarity NPC60516
0.7862 Intermediate Similarity NPC81026
0.7861 Intermediate Similarity NPC478005
0.7844 Intermediate Similarity NPC191863
0.7844 Intermediate Similarity NPC133470
0.7844 Intermediate Similarity NPC289776
0.7829 Intermediate Similarity NPC471526
0.7824 Intermediate Similarity NPC475123
0.7824 Intermediate Similarity NPC475204
0.7799 Intermediate Similarity NPC266741
0.7791 Intermediate Similarity NPC471165
0.7791 Intermediate Similarity NPC136797
0.7791 Intermediate Similarity NPC5194
0.7791 Intermediate Similarity NPC261934
0.7791 Intermediate Similarity NPC262166
0.779 Intermediate Similarity NPC477632
0.779 Intermediate Similarity NPC477638
0.7771 Intermediate Similarity NPC244336
0.7765 Intermediate Similarity NPC163961
0.7765 Intermediate Similarity NPC473305
0.776 Intermediate Similarity NPC477552
0.776 Intermediate Similarity NPC477550
0.774 Intermediate Similarity NPC138083
0.7714 Intermediate Similarity NPC32064
0.7711 Intermediate Similarity NPC323336
0.7711 Intermediate Similarity NPC326349
0.7709 Intermediate Similarity NPC234069
0.7707 Intermediate Similarity NPC242159
0.7707 Intermediate Similarity NPC313694
0.7702 Intermediate Similarity NPC311658
0.7688 Intermediate Similarity NPC164608
0.7676 Intermediate Similarity NPC477551
0.767 Intermediate Similarity NPC476321
0.7669 Intermediate Similarity NPC324081
0.7667 Intermediate Similarity NPC174122
0.7667 Intermediate Similarity NPC64140
0.765 Intermediate Similarity NPC477639
0.764 Intermediate Similarity NPC299806
0.7636 Intermediate Similarity NPC39431
0.7628 Intermediate Similarity NPC267237
0.7602 Intermediate Similarity NPC302597
0.76 Intermediate Similarity NPC27581
0.759 Intermediate Similarity NPC244509
0.759 Intermediate Similarity NPC476268
0.7584 Intermediate Similarity NPC471049
0.7584 Intermediate Similarity NPC471048
0.7584 Intermediate Similarity NPC471050
0.7569 Intermediate Similarity NPC477636
0.7562 Intermediate Similarity NPC168861
0.7558 Intermediate Similarity NPC66490
0.7554 Intermediate Similarity NPC329295
0.7533 Intermediate Similarity NPC71684
0.7532 Intermediate Similarity NPC111428
0.7532 Intermediate Similarity NPC473322
0.7527 Intermediate Similarity NPC473378
0.7527 Intermediate Similarity NPC473407
0.7514 Intermediate Similarity NPC170302
0.7514 Intermediate Similarity NPC475409
0.7514 Intermediate Similarity NPC475564
0.75 Intermediate Similarity NPC276120
0.7487 Intermediate Similarity NPC469443
0.7486 Intermediate Similarity NPC477631
0.7485 Intermediate Similarity NPC472923
0.7472 Intermediate Similarity NPC477637
0.7453 Intermediate Similarity NPC91953
0.7446 Intermediate Similarity NPC328763
0.7438 Intermediate Similarity NPC214988
0.7436 Intermediate Similarity NPC255447
0.7424 Intermediate Similarity NPC478007
0.7419 Intermediate Similarity NPC296712
0.7414 Intermediate Similarity NPC196091
0.7401 Intermediate Similarity NPC473546
0.74 Intermediate Similarity NPC319950
0.74 Intermediate Similarity NPC283760
0.7399 Intermediate Similarity NPC473502
0.7396 Intermediate Similarity NPC56635
0.7394 Intermediate Similarity NPC473450
0.7391 Intermediate Similarity NPC197921
0.7377 Intermediate Similarity NPC29531
0.7372 Intermediate Similarity NPC478147
0.7363 Intermediate Similarity NPC96275
0.736 Intermediate Similarity NPC475421
0.7356 Intermediate Similarity NPC186617
0.735 Intermediate Similarity NPC478008
0.7348 Intermediate Similarity NPC315542
0.7346 Intermediate Similarity NPC469360
0.7333 Intermediate Similarity NPC9373
0.7333 Intermediate Similarity NPC470546
0.7317 Intermediate Similarity NPC314114
0.7314 Intermediate Similarity NPC473693
0.7314 Intermediate Similarity NPC471568
0.7312 Intermediate Similarity NPC6570
0.7312 Intermediate Similarity NPC127741
0.7287 Intermediate Similarity NPC323662
0.7283 Intermediate Similarity NPC51047
0.7278 Intermediate Similarity NPC45191
0.7273 Intermediate Similarity NPC328494
0.7267 Intermediate Similarity NPC470545
0.7262 Intermediate Similarity NPC473341
0.7257 Intermediate Similarity NPC315388
0.7254 Intermediate Similarity NPC220060
0.7238 Intermediate Similarity NPC470903
0.7238 Intermediate Similarity NPC470112
0.7238 Intermediate Similarity NPC167763
0.7234 Intermediate Similarity NPC471592
0.7226 Intermediate Similarity NPC101719
0.7219 Intermediate Similarity NPC471563
0.7216 Intermediate Similarity NPC469444
0.7215 Intermediate Similarity NPC120251
0.7205 Intermediate Similarity NPC6913
0.72 Intermediate Similarity NPC106551
0.72 Intermediate Similarity NPC281686
0.72 Intermediate Similarity NPC470544
0.72 Intermediate Similarity NPC188867
0.7196 Intermediate Similarity NPC50548
0.7186 Intermediate Similarity NPC254798
0.7184 Intermediate Similarity NPC189116
0.7176 Intermediate Similarity NPC469903
0.7166 Intermediate Similarity NPC65714
0.7166 Intermediate Similarity NPC314083
0.7161 Intermediate Similarity NPC222466
0.7158 Intermediate Similarity NPC235194
0.7151 Intermediate Similarity NPC1390
0.7151 Intermediate Similarity NPC62104
0.7151 Intermediate Similarity NPC248822
0.7143 Intermediate Similarity NPC314835
0.7143 Intermediate Similarity NPC473360
0.7143 Intermediate Similarity NPC144314
0.7143 Intermediate Similarity NPC142577
0.7143 Intermediate Similarity NPC474862
0.7143 Intermediate Similarity NPC254700
0.7135 Intermediate Similarity NPC246591

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471771 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
0.8553 High Similarity NPD7495 Discontinued
0.8553 High Similarity NPD8019 Approved
0.8519 High Similarity NPD8303 Discontinued
0.8301 Intermediate Similarity NPD7450 Phase 2
0.8125 Intermediate Similarity NPD7523 Phase 3
0.784 Intermediate Similarity NPD7303 Discontinued
0.7818 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD3136 Phase 2
0.7658 Intermediate Similarity NPD6867 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD6866 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7451 Discontinued
0.7569 Intermediate Similarity NPD7617 Discontinued
0.7562 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD7608 Discontinued
0.75 Intermediate Similarity NPD6682 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD7131 Phase 3
0.7457 Intermediate Similarity NPD7484 Phase 3
0.7457 Intermediate Similarity NPD7485 Phase 3
0.7453 Intermediate Similarity NPD7978 Discontinued
0.7453 Intermediate Similarity NPD8076 Discontinued
0.7444 Intermediate Similarity NPD5946 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD4652 Approved
0.7386 Intermediate Similarity NPD5200 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD4677 Discontinued
0.7384 Intermediate Similarity NPD2098 Approved
0.7375 Intermediate Similarity NPD6901 Phase 3
0.7349 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6670 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD6078 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD6346 Approved
0.7267 Intermediate Similarity NPD2097 Approved
0.7257 Intermediate Similarity NPD2017 Approved
0.7257 Intermediate Similarity NPD2890 Approved
0.7257 Intermediate Similarity NPD2889 Approved
0.7257 Intermediate Similarity NPD2888 Approved
0.7244 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6297 Approved
0.7215 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD9568 Approved
0.7175 Intermediate Similarity NPD5137 Approved
0.7171 Intermediate Similarity NPD4504 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5581 Approved
0.7168 Intermediate Similarity NPD5967 Approved
0.7158 Intermediate Similarity NPD6851 Approved
0.7158 Intermediate Similarity NPD6853 Approved
0.7134 Intermediate Similarity NPD7720 Phase 2
0.7127 Intermediate Similarity NPD5445 Approved
0.7126 Intermediate Similarity NPD7554 Discontinued
0.7117 Intermediate Similarity NPD5301 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6681 Discovery
0.7086 Intermediate Similarity NPD8031 Discontinued
0.7081 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD8323 Discontinued
0.7066 Intermediate Similarity NPD7602 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD8022 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD5263 Approved
0.7024 Intermediate Similarity NPD6884 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.6994 Remote Similarity NPD4782 Clinical (unspecified phase)
0.6988 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6987 Remote Similarity NPD3073 Approved
0.6987 Remote Similarity NPD2561 Approved
0.6987 Remote Similarity NPD3071 Approved
0.6987 Remote Similarity NPD2562 Approved
0.6987 Remote Similarity NPD3072 Approved
0.6982 Remote Similarity NPD6088 Approved
0.6978 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6975 Remote Similarity NPD6623 Phase 3
0.697 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1330 Phase 2
0.6957 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6295 Approved
0.6951 Remote Similarity NPD6294 Approved
0.6946 Remote Similarity NPD6860 Clinical (unspecified phase)
0.6946 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6933 Remote Similarity NPD3908 Approved
0.6923 Remote Similarity NPD4706 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4761 Approved
0.6923 Remote Similarity NPD4762 Approved
0.6909 Remote Similarity NPD7728 Clinical (unspecified phase)
0.6908 Remote Similarity NPD255 Approved
0.6908 Remote Similarity NPD256 Approved
0.6905 Remote Similarity NPD3400 Discontinued
0.6905 Remote Similarity NPD1968 Approved
0.6905 Remote Similarity NPD1967 Approved
0.6894 Remote Similarity NPD4497 Clinical (unspecified phase)
0.689 Remote Similarity NPD6073 Approved
0.6886 Remote Similarity NPD5341 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3040 Approved
0.6875 Remote Similarity NPD9569 Approved
0.6864 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6862 Remote Similarity NPD8025 Phase 2
0.6857 Remote Similarity NPD5355 Approved
0.6857 Remote Similarity NPD5356 Approved
0.6848 Remote Similarity NPD3552 Approved
0.6848 Remote Similarity NPD3555 Approved
0.6848 Remote Similarity NPD3554 Approved
0.6848 Remote Similarity NPD3553 Approved
0.6845 Remote Similarity NPD6967 Phase 2
0.6832 Remote Similarity NPD4676 Approved
0.6829 Remote Similarity NPD8643 Discontinued
0.6821 Remote Similarity NPD6255 Approved
0.6821 Remote Similarity NPD6256 Approved
0.6821 Remote Similarity NPD6254 Approved
0.6814 Remote Similarity NPD8405 Clinical (unspecified phase)
0.681 Remote Similarity NPD259 Phase 1
0.681 Remote Similarity NPD5745 Approved
0.6804 Remote Similarity NPD7810 Phase 3
0.6804 Remote Similarity NPD7811 Phase 3
0.6802 Remote Similarity NPD7613 Discontinued
0.68 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6792 Remote Similarity NPD3125 Approved
0.6772 Remote Similarity NPD7855 Clinical (unspecified phase)
0.677 Remote Similarity NPD4177 Approved
0.677 Remote Similarity NPD4175 Approved
0.6769 Remote Similarity NPD6253 Approved
0.6768 Remote Similarity NPD5323 Approved
0.675 Remote Similarity NPD3053 Approved
0.675 Remote Similarity NPD3055 Approved
0.6747 Remote Similarity NPD6852 Discontinued
0.674 Remote Similarity NPD6747 Phase 1
0.673 Remote Similarity NPD4659 Approved
0.6728 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6727 Remote Similarity NPD555 Phase 2
0.672 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6714 Remote Similarity NPD8292 Phase 2
0.6708 Remote Similarity NPD4151 Approved
0.6708 Remote Similarity NPD3608 Clinical (unspecified phase)
0.6705 Remote Similarity NPD6677 Suspended
0.6704 Remote Similarity NPD8070 Approved
0.6703 Remote Similarity NPD5484 Approved
0.6703 Remote Similarity NPD5485 Approved
0.6702 Remote Similarity NPD7283 Approved
0.67 Remote Similarity NPD6188 Approved
0.67 Remote Similarity NPD6189 Approved
0.6687 Remote Similarity NPD2568 Approved
0.6687 Remote Similarity NPD5367 Discontinued
0.6687 Remote Similarity NPD5310 Approved
0.6687 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6687 Remote Similarity NPD5311 Approved
0.6687 Remote Similarity NPD9537 Phase 1
0.6687 Remote Similarity NPD9536 Phase 1
0.6687 Remote Similarity NPD5746 Approved
0.6687 Remote Similarity NPD5725 Approved
0.6686 Remote Similarity NPD6631 Clinical (unspecified phase)
0.6686 Remote Similarity NPD5613 Approved
0.6686 Remote Similarity NPD5614 Approved
0.6684 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1759 Phase 1
0.6667 Remote Similarity NPD5152 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7828 Discontinued
0.6667 Remote Similarity NPD1519 Approved
0.6667 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1537 Approved
0.6667 Remote Similarity NPD4153 Approved
0.6667 Remote Similarity NPD1538 Phase 1
0.665 Remote Similarity NPD6187 Approved
0.6647 Remote Similarity NPD2209 Approved
0.6647 Remote Similarity NPD6419 Discontinued
0.6647 Remote Similarity NPD3536 Discontinued
0.6647 Remote Similarity NPD2211 Approved
0.6647 Remote Similarity NPD5556 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6646 Remote Similarity NPD5299 Approved
0.6632 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6631 Remote Similarity NPD5192 Clinical (unspecified phase)
0.663 Remote Similarity NPD4443 Clinical (unspecified phase)
0.6629 Remote Similarity NPD8315 Phase 1
0.6627 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6626 Remote Similarity NPD2614 Approved
0.6624 Remote Similarity NPD4093 Discontinued
0.6615 Remote Similarity NPD7282 Approved
0.6615 Remote Similarity NPD6505 Approved
0.6615 Remote Similarity NPD6504 Approved
0.6614 Remote Similarity NPD6557 Phase 2
0.6609 Remote Similarity NPD6390 Discontinued
0.6608 Remote Similarity NPD5481 Discontinued
0.6606 Remote Similarity NPD6407 Approved
0.6606 Remote Similarity NPD6405 Approved
0.6605 Remote Similarity NPD257 Approved
0.6605 Remote Similarity NPD258 Approved
0.6603 Remote Similarity NPD317 Approved
0.6603 Remote Similarity NPD16 Approved
0.6603 Remote Similarity NPD318 Approved
0.6603 Remote Similarity NPD856 Approved
0.6603 Remote Similarity NPD1758 Phase 1
0.6598 Remote Similarity NPD7669 Phase 3
0.6592 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6591 Remote Similarity NPD3455 Phase 2
0.659 Remote Similarity NPD2014 Approved
0.659 Remote Similarity NPD2013 Approved
0.659 Remote Similarity NPD2016 Approved
0.659 Remote Similarity NPD3987 Approved
0.659 Remote Similarity NPD3988 Approved
0.6587 Remote Similarity NPD5314 Approved
0.6587 Remote Similarity NPD8173 Phase 2

Structure

External Identifiers

PubChem CID   90663500
ChEMBL   CHEMBL3143512
ZINC  

Physicochemical Properties

Molecular Weight:  929.49
ALogP:  -5.1687
MLogP:  4.87
XLogP:  7.058
# Rotatable Bonds:  30
Polar Surface Area:  293.28
# H-Bond Aceptor:  15
# H-Bond Donor:  10
# Rings:  4
# Heavy Atoms:  67

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Biological Activities  
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