Natural Product: NPC97526

Natural Product ID:  NPC97526
Common Name:   (2R,3Ar,6R,7Ar)-N-(4-Guanidinobutyl)-6-Hydroxy-1-((R)-2-((R)-2-Hydroxy-3-(4-Hydroxyphenyl)Propanamido)-3-Phenylpropanoyl)Octahydro-1H-Indole-2-Carboxamide
IUPAC Name:   (2R,3aR,6R,7aR)-N-[4-(diaminomethylideneamino)butyl]-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Synonyms:  
Molecular Formula:   C32H44N6O6
Standard InCHIKey:  HYPWKJJQJSEUDS-BYSSPFSSSA-N
Standard InCHI:  InChI=1S/C32H44N6O6/c33-32(34)36-15-5-4-14-35-29(42)27-18-22-10-13-24(40)19-26(22)38(27)31(44)25(16-20-6-2-1-3-7-20)37-30(43)28(41)17-21-8-11-23(39)12-9-21/h1-3,6-9,11-12,22,24-28,39-41H,4-5,10,13-19H2,(H,35,42)(H,37,43)(H4,33,34,36)/t22-,24-,25-,26-,27-,28-/m1/s1
Canonical SMILES:  O[C@@H]1CC[C@H]2[C@@H](C1)N([C@H](C2)C(=NCCCCNC(=N)N)O)C(=O)[C@H](N=C([C@@H](Cc1ccc(cc1)O)O)O)Cc1ccccc1
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
NPO3288 Microcystis aeruginosa Species Microcystaceae Bacteria bloom material Lake Kinneret, Israel PMID[22280481]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 1300 nM 17027268
NPT670 Individual Protein Thrombin Homo sapiens Inhibition < 50 % 19596882

  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 NPC97526 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 NPC119652
0.9578 High Similarity NPC94862
0.9437 High Similarity NPC280022
0.8855 High Similarity NPC89831
0.8812 High Similarity NPC476268
0.8786 High Similarity NPC96275
0.8686 High Similarity NPC51047
0.8639 High Similarity NPC17698
0.858 High Similarity NPC475532
0.8554 High Similarity NPC63931
0.8529 High Similarity NPC165285
0.8523 High Similarity NPC246591
0.848 Intermediate Similarity NPC196243
0.8462 Intermediate Similarity NPC198254
0.8462 Intermediate Similarity NPC274198
0.8436 Intermediate Similarity NPC302715
0.8427 Intermediate Similarity NPC470728
0.8402 Intermediate Similarity NPC129486
0.8375 Intermediate Similarity NPC16188
0.8371 Intermediate Similarity NPC61332
0.8371 Intermediate Similarity NPC240130
0.8353 Intermediate Similarity NPC276506
0.8343 Intermediate Similarity NPC328649
0.8333 Intermediate Similarity NPC223207
0.8287 Intermediate Similarity NPC80514
0.8284 Intermediate Similarity NPC471771
0.8284 Intermediate Similarity NPC304074
0.8284 Intermediate Similarity NPC290755
0.8263 Intermediate Similarity NPC469243
0.8221 Intermediate Similarity NPC473491
0.8208 Intermediate Similarity NPC471165
0.8187 Intermediate Similarity NPC477632
0.8187 Intermediate Similarity NPC477638
0.8171 Intermediate Similarity NPC233702
0.8155 Intermediate Similarity NPC475544
0.8142 Intermediate Similarity NPC329295
0.8125 Intermediate Similarity NPC475564
0.8125 Intermediate Similarity NPC170302
0.8125 Intermediate Similarity NPC168861
0.8125 Intermediate Similarity NPC475409
0.8121 Intermediate Similarity NPC202198
0.8114 Intermediate Similarity NPC473546
0.8111 Intermediate Similarity NPC102959
0.8107 Intermediate Similarity NPC241794
0.8103 Intermediate Similarity NPC26108
0.8103 Intermediate Similarity NPC136797
0.8095 Intermediate Similarity NPC244336
0.8079 Intermediate Similarity NPC473404
0.8066 Intermediate Similarity NPC60516
0.8063 Intermediate Similarity NPC476989
0.8054 Intermediate Similarity NPC477552
0.8054 Intermediate Similarity NPC477550
0.8024 Intermediate Similarity NPC473580
0.8023 Intermediate Similarity NPC153554
0.7968 Intermediate Similarity NPC477551
0.7955 Intermediate Similarity NPC50016
0.7946 Intermediate Similarity NPC477639
0.7943 Intermediate Similarity NPC137627
0.7943 Intermediate Similarity NPC273755
0.7917 Intermediate Similarity NPC244509
0.7904 Intermediate Similarity NPC262166
0.7904 Intermediate Similarity NPC56685
0.7895 Intermediate Similarity NPC81845
0.7888 Intermediate Similarity NPC214988
0.788 Intermediate Similarity NPC477631
0.7869 Intermediate Similarity NPC477636
0.7865 Intermediate Similarity NPC478005
0.7865 Intermediate Similarity NPC45037
0.7861 Intermediate Similarity NPC61004
0.7841 Intermediate Similarity NPC248670
0.7841 Intermediate Similarity NPC306804
0.7829 Intermediate Similarity NPC475123
0.7829 Intermediate Similarity NPC475204
0.7826 Intermediate Similarity NPC313694
0.7826 Intermediate Similarity NPC242159
0.7816 Intermediate Similarity NPC209463
0.7816 Intermediate Similarity NPC141957
0.7816 Intermediate Similarity NPC302597
0.7784 Intermediate Similarity NPC328494
0.7771 Intermediate Similarity NPC66490
0.775 Intermediate Similarity NPC267237
0.7719 Intermediate Similarity NPC323336
0.7719 Intermediate Similarity NPC326349
0.7711 Intermediate Similarity NPC311658
0.7697 Intermediate Similarity NPC159767
0.7697 Intermediate Similarity NPC155506
0.7697 Intermediate Similarity NPC476227
0.7697 Intermediate Similarity NPC473354
0.7692 Intermediate Similarity NPC295795
0.7692 Intermediate Similarity NPC294951
0.7684 Intermediate Similarity NPC469443
0.7669 Intermediate Similarity NPC48202
0.7667 Intermediate Similarity NPC269750
0.7667 Intermediate Similarity NPC194671
0.7627 Intermediate Similarity NPC40234
0.7627 Intermediate Similarity NPC46009
0.7614 Intermediate Similarity NPC294516
0.7614 Intermediate Similarity NPC107938
0.7598 Intermediate Similarity NPC279871
0.7588 Intermediate Similarity NPC261934
0.7588 Intermediate Similarity NPC5194
0.7584 Intermediate Similarity NPC230611
0.7582 Intermediate Similarity NPC477637
0.7557 Intermediate Similarity NPC254700
0.7541 Intermediate Similarity NPC471526
0.7525 Intermediate Similarity NPC478007
0.7514 Intermediate Similarity NPC276120
0.75 Intermediate Similarity NPC473402
0.75 Intermediate Similarity NPC471050
0.75 Intermediate Similarity NPC471049
0.75 Intermediate Similarity NPC158277
0.75 Intermediate Similarity NPC471048
0.7487 Intermediate Similarity NPC473305
0.7487 Intermediate Similarity NPC163961
0.7486 Intermediate Similarity NPC476321
0.7471 Intermediate Similarity NPC287757
0.7471 Intermediate Similarity NPC319320
0.7459 Intermediate Similarity NPC138083
0.7451 Intermediate Similarity NPC478008
0.7449 Intermediate Similarity NPC220060
0.7443 Intermediate Similarity NPC133470
0.7443 Intermediate Similarity NPC289776
0.7443 Intermediate Similarity NPC191863
0.7432 Intermediate Similarity NPC32064
0.7414 Intermediate Similarity NPC324850
0.7411 Intermediate Similarity NPC469444
0.7371 Intermediate Similarity NPC62104
0.7371 Intermediate Similarity NPC1390
0.7337 Intermediate Similarity NPC81026
0.7308 Intermediate Similarity NPC164608
0.7301 Intermediate Similarity NPC326966
0.7301 Intermediate Similarity NPC257390
0.73 Intermediate Similarity NPC469445
0.7284 Intermediate Similarity NPC325651
0.7283 Intermediate Similarity NPC122590
0.7278 Intermediate Similarity NPC315266
0.7278 Intermediate Similarity NPC266741
0.7273 Intermediate Similarity NPC299806
0.7273 Intermediate Similarity NPC219350
0.7273 Intermediate Similarity NPC194699
0.7263 Intermediate Similarity NPC473378
0.7263 Intermediate Similarity NPC473407
0.7262 Intermediate Similarity NPC251439
0.7239 Intermediate Similarity NPC255447
0.7238 Intermediate Similarity NPC196091
0.7211 Intermediate Similarity NPC283207
0.7207 Intermediate Similarity NPC210377
0.7207 Intermediate Similarity NPC22883
0.7207 Intermediate Similarity NPC217804
0.7207 Intermediate Similarity NPC5719
0.7191 Intermediate Similarity NPC73655
0.7188 Intermediate Similarity NPC65714
0.7186 Intermediate Similarity NPC132636
0.7181 Intermediate Similarity NPC315542
0.7168 Intermediate Similarity NPC324081
0.7165 Intermediate Similarity NPC471592
0.7152 Intermediate Similarity NPC244866
0.7143 Intermediate Similarity NPC39431
0.7135 Intermediate Similarity NPC314114
0.7135 Intermediate Similarity NPC114806
0.7129 Intermediate Similarity NPC277306
0.7129 Intermediate Similarity NPC469442
0.7128 Intermediate Similarity NPC50548
0.7128 Intermediate Similarity NPC323662
0.7127 Intermediate Similarity NPC63040
0.712 Intermediate Similarity NPC174122
0.712 Intermediate Similarity NPC64140
0.712 Intermediate Similarity NPC477462
0.712 Intermediate Similarity NPC29531
0.7118 Intermediate Similarity NPC52748
0.7118 Intermediate Similarity NPC326241
0.7117 Intermediate Similarity NPC111428
0.7117 Intermediate Similarity NPC473322
0.7113 Intermediate Similarity NPC473371
0.7111 Intermediate Similarity NPC472923
0.711 Intermediate Similarity NPC2501
0.7088 Intermediate Similarity NPC186617
0.7079 Intermediate Similarity NPC24617
0.7077 Intermediate Similarity NPC144314
0.7076 Intermediate Similarity NPC209509
0.7072 Intermediate Similarity NPC15068
0.7068 Intermediate Similarity NPC234069
0.7066 Intermediate Similarity NPC473360
0.7059 Intermediate Similarity NPC25539
0.7059 Intermediate Similarity NPC39822
0.7056 Intermediate Similarity NPC242728
0.7056 Intermediate Similarity NPC473450
0.7049 Intermediate Similarity NPC473693
0.7049 Intermediate Similarity NPC471568
0.7048 Intermediate Similarity NPC208757
0.7035 Intermediate Similarity NPC262077
0.7033 Intermediate Similarity NPC473502
0.7029 Intermediate Similarity NPC300443
0.7026 Intermediate Similarity NPC149962
0.7024 Intermediate Similarity NPC64205
0.7024 Intermediate Similarity NPC6570
0.7022 Intermediate Similarity NPC56635
0.7019 Intermediate Similarity NPC6975
0.7019 Intermediate Similarity NPC46427
0.701 Intermediate Similarity NPC314083

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC97526 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
0.8393 Intermediate Similarity NPD8303 Discontinued
0.8144 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD8019 Approved
0.8095 Intermediate Similarity NPD7495 Discontinued
0.7886 Intermediate Similarity NPD5137 Approved
0.7869 Intermediate Similarity NPD7617 Discontinued
0.7798 Intermediate Similarity NPD7523 Phase 3
0.7697 Intermediate Similarity NPD5200 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD7066 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7450 Phase 2
0.7576 Intermediate Similarity NPD6809 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD5946 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD7303 Discontinued
0.7301 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD7484 Phase 3
0.7278 Intermediate Similarity NPD7485 Phase 3
0.7225 Intermediate Similarity NPD7613 Discontinued
0.7219 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD6901 Phase 3
0.7184 Intermediate Similarity NPD7131 Phase 3
0.716 Intermediate Similarity NPD8076 Discontinued
0.716 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4652 Approved
0.7143 Intermediate Similarity NPD6670 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD3136 Phase 2
0.7076 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7978 Discontinued
0.7049 Intermediate Similarity NPD7608 Discontinued
0.7041 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD6676 Phase 2
0.7029 Intermediate Similarity NPD6078 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD8172 Phase 2
0.7024 Intermediate Similarity NPD8173 Phase 2
0.7017 Intermediate Similarity NPD2098 Approved
0.7005 Intermediate Similarity NPD7695 Clinical (unspecified phase)
0.6951 Remote Similarity NPD7451 Discontinued
0.6923 Remote Similarity NPD5314 Approved
0.6914 Remote Similarity NPD2561 Approved
0.6914 Remote Similarity NPD2562 Approved
0.6911 Remote Similarity NPD6557 Phase 2
0.6906 Remote Similarity NPD2097 Approved
0.6906 Remote Similarity NPD5967 Approved
0.6897 Remote Similarity NPD8323 Discontinued
0.6875 Remote Similarity NPD6419 Discontinued
0.6842 Remote Similarity NPD6867 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6866 Clinical (unspecified phase)
0.6831 Remote Similarity NPD8031 Discontinued
0.6824 Remote Similarity NPD6073 Approved
0.6823 Remote Similarity NPD6851 Approved
0.6823 Remote Similarity NPD6853 Approved
0.6805 Remote Similarity NPD3062 Approved
0.6805 Remote Similarity NPD3059 Approved
0.6805 Remote Similarity NPD3061 Approved
0.68 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6796 Remote Similarity NPD7011 Discontinued
0.6789 Remote Similarity NPD6297 Approved
0.6784 Remote Similarity NPD3554 Approved
0.6784 Remote Similarity NPD3555 Approved
0.6784 Remote Similarity NPD3552 Approved
0.6784 Remote Similarity NPD3553 Approved
0.6766 Remote Similarity NPD5263 Approved
0.6765 Remote Similarity NPD4757 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6762 Remote Similarity NPD8405 Clinical (unspecified phase)
0.675 Remote Similarity NPD7810 Phase 3
0.675 Remote Similarity NPD7811 Phase 3
0.6746 Remote Similarity NPD5729 Clinical (unspecified phase)
0.6739 Remote Similarity NPD8070 Approved
0.6736 Remote Similarity NPD6556 Clinical (unspecified phase)
0.6726 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6725 Remote Similarity NPD2568 Approved
0.6723 Remote Similarity NPD6682 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5445 Approved
0.6686 Remote Similarity NPD1330 Phase 2
0.6686 Remote Similarity NPD2976 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6685 Remote Similarity NPD3985 Discontinued
0.6685 Remote Similarity NPD2874 Phase 2
0.6667 Remote Similarity NPD4659 Approved
0.665 Remote Similarity NPD8163 Clinical (unspecified phase)
0.665 Remote Similarity NPD8162 Phase 2
0.6648 Remote Similarity NPD2541 Clinical (unspecified phase)
0.6647 Remote Similarity NPD1130 Approved
0.6647 Remote Similarity NPD1136 Approved
0.6647 Remote Similarity NPD1132 Approved
0.6633 Remote Similarity NPD8025 Phase 2
0.6632 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6632 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6631 Remote Similarity NPD2888 Approved
0.6631 Remote Similarity NPD2890 Approved
0.6631 Remote Similarity NPD2017 Approved
0.6631 Remote Similarity NPD2889 Approved
0.6629 Remote Similarity NPD6681 Discovery
0.6628 Remote Similarity NPD823 Approved
0.6628 Remote Similarity NPD817 Approved
0.6627 Remote Similarity NPD5310 Approved
0.6627 Remote Similarity NPD5311 Approved
0.6618 Remote Similarity NPD5152 Clinical (unspecified phase)
0.6609 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6597 Remote Similarity NPD6042 Phase 2
0.6597 Remote Similarity NPD42 Phase 2
0.6593 Remote Similarity NPD8417 Discontinued
0.659 Remote Similarity NPD8292 Phase 2
0.659 Remote Similarity NPD6852 Discontinued
0.6589 Remote Similarity NPD6796 Discontinued
0.6588 Remote Similarity NPD601 Approved
0.6588 Remote Similarity NPD597 Approved
0.6588 Remote Similarity NPD598 Approved
0.6587 Remote Similarity NPD4103 Phase 2
0.6587 Remote Similarity NPD3053 Approved
0.6587 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6587 Remote Similarity NPD3055 Approved
0.6578 Remote Similarity NPD5823 Approved
0.6576 Remote Similarity NPD5773 Approved
0.6576 Remote Similarity NPD5772 Approved
0.6566 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6564 Remote Similarity NPD6237 Clinical (unspecified phase)
0.6557 Remote Similarity NPD6677 Suspended
0.655 Remote Similarity NPD6405 Approved
0.655 Remote Similarity NPD6407 Approved
0.6548 Remote Similarity NPD4157 Discontinued
0.6548 Remote Similarity NPD6835 Approved
0.6545 Remote Similarity NPD4762 Approved
0.6545 Remote Similarity NPD4761 Approved
0.6543 Remote Similarity NPD317 Approved
0.6543 Remote Similarity NPD318 Approved
0.6543 Remote Similarity NPD16 Approved
0.6543 Remote Similarity NPD856 Approved
0.6541 Remote Similarity NPD7080 Clinical (unspecified phase)
0.6532 Remote Similarity NPD5725 Approved
0.6532 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6967 Phase 2
0.6517 Remote Similarity NPD8131 Suspended
0.6514 Remote Similarity NPD2239 Approved
0.6514 Remote Similarity NPD2240 Approved
0.6514 Remote Similarity NPD7939 Discontinued
0.6514 Remote Similarity NPD9570 Approved
0.6513 Remote Similarity NPD7281 Phase 3
0.6513 Remote Similarity NPD7280 Phase 3
0.6512 Remote Similarity NPD4153 Approved
0.6512 Remote Similarity NPD6346 Approved
0.6509 Remote Similarity NPD4177 Approved
0.6509 Remote Similarity NPD3040 Approved
0.6509 Remote Similarity NPD9569 Approved
0.6509 Remote Similarity NPD4175 Approved
0.6507 Remote Similarity NPD3803 Clinical (unspecified phase)
0.6506 Remote Similarity NPD3072 Approved
0.6506 Remote Similarity NPD3073 Approved
0.6506 Remote Similarity NPD3071 Approved
0.65 Remote Similarity NPD3536 Discontinued
0.6497 Remote Similarity NPD3638 Discontinued
0.6497 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6495 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6488 Remote Similarity NPD6863 Phase 2
0.6486 Remote Similarity NPD2978 Approved
0.6486 Remote Similarity NPD2977 Approved
0.6485 Remote Similarity NPD7282 Approved
0.6481 Remote Similarity NPD9568 Approved
0.648 Remote Similarity NPD7554 Discontinued
0.648 Remote Similarity NPD6884 Clinical (unspecified phase)
0.6477 Remote Similarity NPD7720 Phase 2
0.6474 Remote Similarity NPD555 Phase 2
0.6474 Remote Similarity NPD3908 Approved
0.6471 Remote Similarity NPD5218 Approved
0.6471 Remote Similarity NPD5219 Approved
0.6471 Remote Similarity NPD4676 Approved
0.6471 Remote Similarity NPD7979 Clinical (unspecified phase)
0.6467 Remote Similarity NPD7193 Clinical (unspecified phase)
0.6463 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6461 Remote Similarity NPD3400 Discontinued
0.6457 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6456 Remote Similarity NPD6480 Clinical (unspecified phase)
0.6453 Remote Similarity NPD259 Phase 1
0.6453 Remote Similarity NPD1423 Approved
0.6448 Remote Similarity NPD3455 Phase 2
0.6445 Remote Similarity NPD7827 Phase 1
0.6441 Remote Similarity NPD7596 Clinical (unspecified phase)
0.6439 Remote Similarity NPD6256 Approved
0.6439 Remote Similarity NPD6254 Approved
0.6439 Remote Similarity NPD6255 Approved
0.6437 Remote Similarity NPD3052 Approved
0.6437 Remote Similarity NPD3054 Approved
0.6433 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6432 Remote Similarity NPD6377 Clinical (unspecified phase)
0.6432 Remote Similarity NPD6836 Approved
0.6432 Remote Similarity NPD4227 Discontinued
0.6429 Remote Similarity NPD6792 Phase 3
0.6425 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6424 Remote Similarity NPD7342 Discontinued
0.6424 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6416 Remote Similarity NPD8416 Discontinued
0.6415 Remote Similarity NPD6189 Approved
0.6415 Remote Similarity NPD6188 Approved
0.6414 Remote Similarity NPD6089 Clinical (unspecified phase)
0.6413 Remote Similarity NPD7267 Clinical (unspecified phase)
0.6412 Remote Similarity NPD3626 Phase 3

Structure

External Identifiers

PubChem CID   57332918
ChEMBL   CHEMBL2011687
ZINC  

Physicochemical Properties

Molecular Weight:  608.33
ALogP:  -4.2436
MLogP:  3.66
XLogP:  4.356
# Rotatable Bonds:  21
Polar Surface Area:  208.08
# H-Bond Aceptor:  11
# H-Bond Donor:  8
# Rings:  4
# Heavy Atoms:  44

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs