Natural Product: NPC294951

Natural Product ID:  NPC294951
Common Name:   Lyngbyastatin 5
IUPAC Name:   (2S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(2R)-2,3-dihydroxypropanoyl]amino]propanoyl]amino]-4-(4-hydroxyphenyl)butanamide
Synonyms:   Lyngbyastatin 5
Molecular Formula:   C53H68N8O15
Standard InCHIKey:  KKTKZTTVMLKFOE-RNXFLSOQSA-N
Standard InCHI:  InChI=1S/C53H68N8O15/c1-7-36-46(68)57-38-23-24-42(66)61(51(38)73)40(26-32-11-9-8-10-12-32)52(74)60(6)39(25-33-15-20-35(64)21-16-33)48(70)58-43(28(2)3)53(75)76-30(5)44(50(72)55-36)59-47(69)37(22-17-31-13-18-34(63)19-14-31)56-45(67)29(4)54-49(71)41(65)27-62/h7-16,18-21,28-30,37-44,62-66H,17,22-27H2,1-6H3,(H,54,71)(H,55,72)(H,56,67)(H,57,68)(H,58,70)(H,59,69)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1
Canonical SMILES:  OC[C@H](C(=N[C@H](C(=N[C@H](C(=N[C@H]1[C@@H](C)OC(=O)[C@@H](N=C(O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@@H](N2C(=O)[C@@H](N=C(/C(=C/C)/N=C1O)O)CC[C@H]2O)Cc1ccccc1)C(C)C)O)CCc1ccc(cc1)O)O)C)O)O
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
NPO32763 lyngbya spp. Species Oscillatoriaceae Bacteria Florida PMID[17910513]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 3.2 nM 25739048
NPT2 Others Unspecified IC50 = 2800 nM 22880631

  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 NPC294951 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
0.9702 High Similarity NPC473305
0.9702 High Similarity NPC163961
0.9571 High Similarity NPC279871
0.9398 High Similarity NPC269750
0.9398 High Similarity NPC45037
0.9398 High Similarity NPC194671
0.9333 High Similarity NPC473354
0.9333 High Similarity NPC155506
0.9333 High Similarity NPC159767
0.9329 High Similarity NPC230611
0.929 High Similarity NPC471050
0.929 High Similarity NPC471049
0.929 High Similarity NPC471048
0.9231 High Similarity NPC471526
0.9217 High Similarity NPC473402
0.9162 High Similarity NPC50016
0.9157 High Similarity NPC137627
0.9157 High Similarity NPC273755
0.9157 High Similarity NPC306804
0.9059 High Similarity NPC476321
0.903 High Similarity NPC294516
0.903 High Similarity NPC107938
0.8988 High Similarity NPC26108
0.8988 High Similarity NPC476227
0.8922 High Similarity NPC40234
0.8864 High Similarity NPC473378
0.8864 High Similarity NPC473407
0.8706 High Similarity NPC248670
0.8698 High Similarity NPC46009
0.8698 High Similarity NPC475123
0.8698 High Similarity NPC475204
0.8659 High Similarity NPC302715
0.8619 High Similarity NPC471592
0.8547 High Similarity NPC471165
0.8547 High Similarity NPC158277
0.8512 High Similarity NPC471053
0.8512 High Similarity NPC471051
0.8512 High Similarity NPC471052
0.8492 Intermediate Similarity NPC61332
0.8492 Intermediate Similarity NPC240130
0.8453 Intermediate Similarity NPC65714
0.843 Intermediate Similarity NPC89831
0.8361 Intermediate Similarity NPC473371
0.8353 Intermediate Similarity NPC63931
0.8333 Intermediate Similarity NPC102959
0.8305 Intermediate Similarity NPC473404
0.8287 Intermediate Similarity NPC60516
0.8193 Intermediate Similarity NPC233702
0.8172 Intermediate Similarity NPC323662
0.8087 Intermediate Similarity NPC64140
0.8087 Intermediate Similarity NPC174122
0.8079 Intermediate Similarity NPC196243
0.8054 Intermediate Similarity NPC328763
0.8033 Intermediate Similarity NPC234069
0.7989 Intermediate Similarity NPC477551
0.7989 Intermediate Similarity NPC471771
0.7989 Intermediate Similarity NPC290755
0.7989 Intermediate Similarity NPC304074
0.7979 Intermediate Similarity NPC477552
0.7979 Intermediate Similarity NPC477550
0.7978 Intermediate Similarity NPC94862
0.7965 Intermediate Similarity NPC471527
0.7955 Intermediate Similarity NPC196091
0.7952 Intermediate Similarity NPC16188
0.7943 Intermediate Similarity NPC141957
0.7943 Intermediate Similarity NPC328649
0.7943 Intermediate Similarity NPC302597
0.7931 Intermediate Similarity NPC223207
0.7929 Intermediate Similarity NPC262166
0.7929 Intermediate Similarity NPC202198
0.7921 Intermediate Similarity NPC136797
0.7914 Intermediate Similarity NPC163392
0.7914 Intermediate Similarity NPC239762
0.7895 Intermediate Similarity NPC469443
0.7892 Intermediate Similarity NPC81026
0.7884 Intermediate Similarity NPC50548
0.7869 Intermediate Similarity NPC315542
0.7869 Intermediate Similarity NPC138083
0.7853 Intermediate Similarity NPC198254
0.7853 Intermediate Similarity NPC274198
0.7853 Intermediate Similarity NPC276506
0.7845 Intermediate Similarity NPC32064
0.7831 Intermediate Similarity NPC266741
0.7831 Intermediate Similarity NPC144314
0.7826 Intermediate Similarity NPC276120
0.7824 Intermediate Similarity NPC122590
0.7824 Intermediate Similarity NPC473341
0.7821 Intermediate Similarity NPC477462
0.7811 Intermediate Similarity NPC473491
0.7801 Intermediate Similarity NPC242728
0.779 Intermediate Similarity NPC475421
0.7784 Intermediate Similarity NPC61004
0.7778 Intermediate Similarity NPC39431
0.7778 Intermediate Similarity NPC149962
0.7759 Intermediate Similarity NPC475544
0.7759 Intermediate Similarity NPC469243
0.7754 Intermediate Similarity NPC248822
0.7753 Intermediate Similarity NPC471568
0.7753 Intermediate Similarity NPC473693
0.7746 Intermediate Similarity NPC56635
0.774 Intermediate Similarity NPC209463
0.7733 Intermediate Similarity NPC476268
0.7727 Intermediate Similarity NPC472923
0.7722 Intermediate Similarity NPC164608
0.7709 Intermediate Similarity NPC328494
0.7704 Intermediate Similarity NPC478005
0.7701 Intermediate Similarity NPC244336
0.7697 Intermediate Similarity NPC186617
0.7697 Intermediate Similarity NPC280022
0.7692 Intermediate Similarity NPC97526
0.7692 Intermediate Similarity NPC119652
0.7684 Intermediate Similarity NPC254700
0.7683 Intermediate Similarity NPC6570
0.7683 Intermediate Similarity NPC127741
0.7672 Intermediate Similarity NPC314083
0.767 Intermediate Similarity NPC191863
0.767 Intermediate Similarity NPC289776
0.767 Intermediate Similarity NPC133470
0.7663 Intermediate Similarity NPC470112
0.7663 Intermediate Similarity NPC470903
0.7663 Intermediate Similarity NPC167763
0.7656 Intermediate Similarity NPC123859
0.7653 Intermediate Similarity NPC220060
0.7651 Intermediate Similarity NPC476989
0.7647 Intermediate Similarity NPC2501
0.7635 Intermediate Similarity NPC478007
0.7616 Intermediate Similarity NPC5194
0.7616 Intermediate Similarity NPC261934
0.7614 Intermediate Similarity NPC469444
0.7614 Intermediate Similarity NPC241794
0.7607 Intermediate Similarity NPC244866
0.7606 Intermediate Similarity NPC29531
0.7605 Intermediate Similarity NPC91953
0.7602 Intermediate Similarity NPC475168
0.7602 Intermediate Similarity NPC7817
0.76 Intermediate Similarity NPC62104
0.76 Intermediate Similarity NPC326027
0.76 Intermediate Similarity NPC1390
0.7588 Intermediate Similarity NPC326333
0.7581 Intermediate Similarity NPC299806
0.7561 Intermediate Similarity NPC478008
0.7546 Intermediate Similarity NPC257390
0.7545 Intermediate Similarity NPC197921
0.7538 Intermediate Similarity NPC311357
0.7529 Intermediate Similarity NPC244509
0.7529 Intermediate Similarity NPC473580
0.7529 Intermediate Similarity NPC135121
0.7515 Intermediate Similarity NPC477217
0.7515 Intermediate Similarity NPC201244
0.7514 Intermediate Similarity NPC477637
0.7514 Intermediate Similarity NPC56685
0.75 Intermediate Similarity NPC469445
0.75 Intermediate Similarity NPC469360
0.7475 Intermediate Similarity NPC219350
0.7475 Intermediate Similarity NPC194699
0.7474 Intermediate Similarity NPC477526
0.7473 Intermediate Similarity NPC475532
0.7471 Intermediate Similarity NPC262077
0.7471 Intermediate Similarity NPC470902
0.7459 Intermediate Similarity NPC153554
0.7456 Intermediate Similarity NPC52748
0.7448 Intermediate Similarity NPC471563
0.7444 Intermediate Similarity NPC473502
0.7443 Intermediate Similarity NPC297145
0.7443 Intermediate Similarity NPC197743
0.7436 Intermediate Similarity NPC473450
0.7432 Intermediate Similarity NPC17698
0.7432 Intermediate Similarity NPC165285
0.743 Intermediate Similarity NPC217804
0.743 Intermediate Similarity NPC22883
0.743 Intermediate Similarity NPC5719
0.743 Intermediate Similarity NPC210377
0.7407 Intermediate Similarity NPC4910
0.7401 Intermediate Similarity NPC319320
0.7401 Intermediate Similarity NPC287757
0.7396 Intermediate Similarity NPC161069
0.7384 Intermediate Similarity NPC9373
0.7358 Intermediate Similarity NPC59827
0.7358 Intermediate Similarity NPC477638
0.7358 Intermediate Similarity NPC184933
0.7358 Intermediate Similarity NPC477632
0.7353 Intermediate Similarity NPC476978
0.7348 Intermediate Similarity NPC63040
0.7341 Intermediate Similarity NPC245974
0.7333 Intermediate Similarity NPC45191
0.7327 Intermediate Similarity NPC469442
0.7327 Intermediate Similarity NPC277306
0.7321 Intermediate Similarity NPC313694
0.7321 Intermediate Similarity NPC242159
0.7316 Intermediate Similarity NPC329731
0.731 Intermediate Similarity NPC209509
0.7308 Intermediate Similarity NPC129486
0.7293 Intermediate Similarity NPC15068
0.7283 Intermediate Similarity NPC471820
0.7283 Intermediate Similarity NPC471821
0.7278 Intermediate Similarity NPC46098
0.7278 Intermediate Similarity NPC268841
0.7278 Intermediate Similarity NPC307357
0.7273 Intermediate Similarity NPC475564
0.7273 Intermediate Similarity NPC475409

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC294951 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
0.7746 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD7608 Discontinued
0.7633 Intermediate Similarity NPD8323 Discontinued
0.76 Intermediate Similarity NPD8019 Approved
0.7514 Intermediate Similarity NPD7131 Phase 3
0.7474 Intermediate Similarity NPD7810 Phase 3
0.7474 Intermediate Similarity NPD7811 Phase 3
0.7389 Intermediate Similarity NPD8303 Discontinued
0.7235 Intermediate Similarity NPD7450 Phase 2
0.7225 Intermediate Similarity NPD8356 Approved
0.7211 Intermediate Similarity NPD6851 Approved
0.7211 Intermediate Similarity NPD6853 Approved
0.7211 Intermediate Similarity NPD5946 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7495 Discontinued
0.7196 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD8430 Approved
0.712 Intermediate Similarity NPD7484 Phase 3
0.712 Intermediate Similarity NPD7485 Phase 3
0.7095 Intermediate Similarity NPD8417 Discontinued
0.7093 Intermediate Similarity NPD7978 Discontinued
0.7066 Intermediate Similarity NPD3136 Phase 2
0.7047 Intermediate Similarity NPD8103 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7565 Approved
0.7011 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6297 Approved
0.6982 Remote Similarity NPD5729 Clinical (unspecified phase)
0.697 Remote Similarity NPD7667 Clinical (unspecified phase)
0.6959 Remote Similarity NPD8172 Phase 2
0.6959 Remote Similarity NPD8173 Phase 2
0.6957 Remote Similarity NPD8031 Discontinued
0.6954 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5137 Approved
0.6947 Remote Similarity NPD7695 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6346 Approved
0.6927 Remote Similarity NPD7523 Phase 3
0.6923 Remote Similarity NPD8025 Phase 2
0.6911 Remote Similarity NPD5445 Approved
0.6889 Remote Similarity NPD8315 Phase 1
0.6875 Remote Similarity NPD3400 Discontinued
0.6872 Remote Similarity NPD7303 Discontinued
0.6867 Remote Similarity NPD3125 Approved
0.6831 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6829 Remote Similarity NPD8161 Suspended
0.6828 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6807 Remote Similarity NPD4659 Approved
0.6802 Remote Similarity NPD7617 Discontinued
0.6798 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6791 Remote Similarity NPD5823 Approved
0.6784 Remote Similarity NPD7714 Approved
0.6784 Remote Similarity NPD7715 Approved
0.6778 Remote Similarity NPD7613 Discontinued
0.6761 Remote Similarity NPD6681 Discovery
0.6755 Remote Similarity NPD2017 Approved
0.6755 Remote Similarity NPD2890 Approved
0.6755 Remote Similarity NPD2889 Approved
0.6755 Remote Similarity NPD2888 Approved
0.6744 Remote Similarity NPD5120 Approved
0.6744 Remote Similarity NPD5119 Approved
0.6744 Remote Similarity NPD5121 Approved
0.6743 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6742 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6736 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6706 Remote Similarity NPD4620 Approved
0.6706 Remote Similarity NPD5203 Approved
0.6706 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6706 Remote Similarity NPD5201 Approved
0.6706 Remote Similarity NPD4617 Approved
0.6703 Remote Similarity NPD7972 Discontinued
0.6702 Remote Similarity NPD7449 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6686 Remote Similarity NPD5745 Approved
0.6685 Remote Similarity NPD7749 Clinical (unspecified phase)
0.6685 Remote Similarity NPD5481 Discontinued
0.6685 Remote Similarity NPD6676 Phase 2
0.6684 Remote Similarity NPD8070 Approved
0.6684 Remote Similarity NPD2098 Approved
0.6683 Remote Similarity NPD7585 Approved
0.6667 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5967 Approved
0.6667 Remote Similarity NPD6073 Approved
0.6647 Remote Similarity NPD2584 Suspended
0.6635 Remote Similarity NPD7583 Approved
0.6633 Remote Similarity NPD7281 Phase 3
0.6633 Remote Similarity NPD7280 Phase 3
0.6632 Remote Similarity NPD4652 Approved
0.6631 Remote Similarity NPD8351 Phase 2
0.6629 Remote Similarity NPD6294 Approved
0.6629 Remote Similarity NPD6295 Approved
0.6629 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6628 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6628 Remote Similarity NPD1330 Phase 2
0.6627 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6627 Remote Similarity NPD4103 Phase 2
0.662 Remote Similarity NPD8149 Discontinued
0.6616 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6609 Remote Similarity NPD555 Phase 2
0.6602 Remote Similarity NPD8163 Clinical (unspecified phase)
0.6602 Remote Similarity NPD8162 Phase 2
0.6598 Remote Similarity NPD5190 Phase 2
0.6596 Remote Similarity NPD5218 Approved
0.6596 Remote Similarity NPD5219 Approved
0.6595 Remote Similarity NPD6677 Suspended
0.6593 Remote Similarity NPD6390 Discontinued
0.6588 Remote Similarity NPD7451 Discontinued
0.6583 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6578 Remote Similarity NPD2097 Approved
0.6578 Remote Similarity NPD7738 Approved
0.6578 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6578 Remote Similarity NPD7737 Approved
0.6576 Remote Similarity NPD3455 Phase 2
0.657 Remote Similarity NPD5746 Approved
0.657 Remote Similarity NPD4738 Phase 2
0.6561 Remote Similarity NPD6862 Phase 2
0.6559 Remote Similarity NPD7011 Discontinued
0.6558 Remote Similarity NPD8405 Clinical (unspecified phase)
0.6555 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6552 Remote Similarity NPD5296 Approved
0.6552 Remote Similarity NPD8265 Approved
0.655 Remote Similarity NPD4175 Approved
0.655 Remote Similarity NPD4177 Approved
0.6546 Remote Similarity NPD5312 Approved
0.6546 Remote Similarity NPD5313 Approved
0.6546 Remote Similarity NPD4603 Phase 2
0.6541 Remote Similarity NPD6502 Phase 2
0.6534 Remote Similarity NPD6852 Discontinued
0.6532 Remote Similarity NPD4619 Approved
0.6532 Remote Similarity NPD4621 Approved
0.6531 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6528 Remote Similarity NPD5200 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6863 Phase 2
0.6515 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6515 Remote Similarity NPD6237 Clinical (unspecified phase)
0.6514 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6514 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6513 Remote Similarity NPD5484 Approved
0.6513 Remote Similarity NPD5485 Approved
0.651 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4677 Discontinued
0.6508 Remote Similarity NPD8005 Clinical (unspecified phase)
0.6507 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6505 Remote Similarity NPD7110 Phase 1
0.6505 Remote Similarity NPD7109 Clinical (unspecified phase)
0.6502 Remote Similarity NPD6312 Discontinued
0.6497 Remote Similarity NPD1753 Discontinued
0.6494 Remote Similarity NPD259 Phase 1
0.6489 Remote Similarity NPD7600 Phase 2
0.6485 Remote Similarity NPD7570 Approved
0.6485 Remote Similarity NPD7569 Approved
0.6484 Remote Similarity NPD6088 Approved
0.6482 Remote Similarity NPD6967 Phase 2
0.648 Remote Similarity NPD7959 Clinical (unspecified phase)
0.6479 Remote Similarity NPD3879 Approved
0.6477 Remote Similarity NPD5725 Approved
0.6473 Remote Similarity NPD6255 Approved
0.6473 Remote Similarity NPD6256 Approved
0.6473 Remote Similarity NPD6254 Approved
0.6471 Remote Similarity NPD5356 Approved
0.6471 Remote Similarity NPD5355 Approved
0.6468 Remote Similarity NPD7861 Discontinued
0.6468 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6468 Remote Similarity NPD6796 Discontinued
0.6467 Remote Similarity NPD7427 Discontinued
0.6467 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5035 Approved
0.6462 Remote Similarity NPD3965 Phase 1
0.6462 Remote Similarity NPD3803 Clinical (unspecified phase)
0.6457 Remote Similarity NPD825 Approved
0.6457 Remote Similarity NPD6623 Phase 3
0.6457 Remote Similarity NPD8416 Discontinued
0.6457 Remote Similarity NPD826 Approved
0.6453 Remote Similarity NPD8463 Approved
0.645 Remote Similarity NPD5038 Approved
0.645 Remote Similarity NPD5037 Approved
0.6448 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6448 Remote Similarity NPD3536 Discontinued
0.6447 Remote Similarity NPD8014 Clinical (unspecified phase)
0.6441 Remote Similarity NPD3552 Approved
0.6441 Remote Similarity NPD3555 Approved
0.6441 Remote Similarity NPD3553 Approved
0.6441 Remote Similarity NPD3554 Approved
0.644 Remote Similarity NPD2904 Discontinued
0.644 Remote Similarity NPD6746 Phase 2
0.6436 Remote Similarity NPD6504 Approved
0.6436 Remote Similarity NPD5772 Approved
0.6436 Remote Similarity NPD5773 Approved
0.6436 Remote Similarity NPD6505 Approved
0.6436 Remote Similarity NPD6668 Clinical (unspecified phase)
0.6433 Remote Similarity NPD2626 Approved
0.6433 Remote Similarity NPD2627 Approved
0.6433 Remote Similarity NPD2628 Approved
0.6433 Remote Similarity NPD2159 Approved
0.6433 Remote Similarity NPD2625 Approved
0.6433 Remote Similarity NPD2160 Approved
0.6432 Remote Similarity NPD3878 Approved
0.6429 Remote Similarity NPD5557 Phase 1
0.6429 Remote Similarity NPD6666 Approved
0.6429 Remote Similarity NPD6667 Approved
0.6425 Remote Similarity NPD6253 Approved

Structure

External Identifiers

PubChem CID   23657136
ChEMBL   CHEMBL398725
ZINC  

Physicochemical Properties

Molecular Weight:  1056.48
ALogP:  -4.7537
MLogP:  4.76
XLogP:  4.512
# Rotatable Bonds:  32
Polar Surface Area:  363.61
# H-Bond Aceptor:  21
# H-Bond Donor:  11
# Rings:  5
# Heavy Atoms:  76

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Biological Activities  
Similar NPs/Drugs