Natural Product: NPC129666

Natural Product ID:  NPC129666
Common Name:   Pitipeptolide A
IUPAC Name:   (3S,6S,9S,13S,19S,22S)-6-benzyl-3,19-bis[(2S)-butan-2-yl]-7,12,12-trimethyl-13-pent-4-ynyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Synonyms:  
Molecular Formula:   C44H65N5O9
Standard InCHIKey:  MGUMDFGKOQUYTD-XXMTWPQQSA-N
Standard InCHI:  InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1
Canonical SMILES:  C#CCCC[C@@H]1OC(=O)CN=C(O)[C@@H](N=C(O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@@H](N(C(=O)[C@@H](N=C(C1(C)C)O)C(C)C)C)Cc1ccccc1)[C@H](CC)C)[C@H](CC)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
NPO26389 Lyngbya majuscula Species Oscillatoriaceae Bacteria PMID[11277744]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis IZ = 9 mm Open TG-GATES in vivo data: Hematology
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis IZ = 25 mm 12608857
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis IZ = 10 mm 12608857
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis IZ = 15 mm 12608857
NPT114 Cell Line LoVo Homo sapiens IC50 = 2.25 ug/ml 12608857
NPT2 Others Unspecified FC = 2.76 17850214

  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 NPC129666 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
0.9708 High Similarity NPC5620
0.9429 High Similarity NPC225648
0.9429 High Similarity NPC329761
0.9291 High Similarity NPC138775
0.9281 High Similarity NPC139326
0.9071 High Similarity NPC269398
0.9071 High Similarity NPC263493
0.9065 High Similarity NPC476133
0.9065 High Similarity NPC178662
0.9065 High Similarity NPC92784
0.9065 High Similarity NPC470884
0.9065 High Similarity NPC98424
0.9014 High Similarity NPC209509
0.9007 High Similarity NPC161069
0.8993 High Similarity NPC471265
0.8993 High Similarity NPC471264
0.8944 High Similarity NPC476978
0.8889 High Similarity NPC145113
0.8776 High Similarity NPC162104
0.8733 High Similarity NPC297145
0.8733 High Similarity NPC197743
0.8699 High Similarity NPC240848
0.8699 High Similarity NPC471820
0.8699 High Similarity NPC471821
0.8639 High Similarity NPC2501
0.8592 High Similarity NPC68865
0.8472 Intermediate Similarity NPC307357
0.8472 Intermediate Similarity NPC163392
0.8472 Intermediate Similarity NPC239762
0.8472 Intermediate Similarity NPC268841
0.8472 Intermediate Similarity NPC46098
0.8467 Intermediate Similarity NPC122590
0.8451 Intermediate Similarity NPC248283
0.8425 Intermediate Similarity NPC52748
0.8311 Intermediate Similarity NPC262077
0.8273 Intermediate Similarity NPC101719
0.8261 Intermediate Similarity NPC6975
0.8261 Intermediate Similarity NPC46427
0.8243 Intermediate Similarity NPC313867
0.8243 Intermediate Similarity NPC316008
0.8239 Intermediate Similarity NPC130309
0.8231 Intermediate Similarity NPC197682
0.8201 Intermediate Similarity NPC222466
0.82 Intermediate Similarity NPC105717
0.8188 Intermediate Similarity NPC252878
0.8188 Intermediate Similarity NPC314358
0.8176 Intermediate Similarity NPC315283
0.8176 Intermediate Similarity NPC314388
0.8175 Intermediate Similarity NPC200964
0.8163 Intermediate Similarity NPC168113
0.8133 Intermediate Similarity NPC135121
0.8116 Intermediate Similarity NPC202521
0.8108 Intermediate Similarity NPC176226
0.8092 Intermediate Similarity NPC475168
0.8092 Intermediate Similarity NPC7817
0.8082 Intermediate Similarity NPC127741
0.8043 Intermediate Similarity NPC476990
0.8029 Intermediate Similarity NPC310467
0.8 Intermediate Similarity NPC287401
0.8 Intermediate Similarity NPC477217
0.8 Intermediate Similarity NPC201244
0.7987 Intermediate Similarity NPC286551
0.7986 Intermediate Similarity NPC255447
0.7973 Intermediate Similarity NPC476259
0.7956 Intermediate Similarity NPC169328
0.7935 Intermediate Similarity NPC470902
0.7919 Intermediate Similarity NPC469427
0.7919 Intermediate Similarity NPC469426
0.7902 Intermediate Similarity NPC152850
0.7902 Intermediate Similarity NPC89923
0.7902 Intermediate Similarity NPC105114
0.7902 Intermediate Similarity NPC319766
0.7902 Intermediate Similarity NPC71933
0.7902 Intermediate Similarity NPC239990
0.7888 Intermediate Similarity NPC473502
0.7881 Intermediate Similarity NPC315266
0.7871 Intermediate Similarity NPC473341
0.7847 Intermediate Similarity NPC473322
0.7832 Intermediate Similarity NPC136453
0.7808 Intermediate Similarity NPC246079
0.7792 Intermediate Similarity NPC283783
0.7763 Intermediate Similarity NPC322878
0.7758 Intermediate Similarity NPC477462
0.7758 Intermediate Similarity NPC317362
0.7758 Intermediate Similarity NPC318930
0.7758 Intermediate Similarity NPC26108
0.774 Intermediate Similarity NPC157311
0.7702 Intermediate Similarity NPC471052
0.7702 Intermediate Similarity NPC471051
0.7702 Intermediate Similarity NPC471053
0.7697 Intermediate Similarity NPC137627
0.7692 Intermediate Similarity NPC22746
0.7687 Intermediate Similarity NPC44805
0.7687 Intermediate Similarity NPC8761
0.7671 Intermediate Similarity NPC300315
0.7671 Intermediate Similarity NPC200589
0.7651 Intermediate Similarity NPC326407
0.7651 Intermediate Similarity NPC317725
0.7643 Intermediate Similarity NPC470546
0.7625 Intermediate Similarity NPC62104
0.7625 Intermediate Similarity NPC1390
0.7622 Intermediate Similarity NPC175726
0.7622 Intermediate Similarity NPC474082
0.7619 Intermediate Similarity NPC475421
0.7578 Intermediate Similarity NPC471527
0.7576 Intermediate Similarity NPC475123
0.7576 Intermediate Similarity NPC475204
0.7571 Intermediate Similarity NPC470545
0.755 Intermediate Similarity NPC132636
0.7546 Intermediate Similarity NPC472923
0.7535 Intermediate Similarity NPC478014
0.7535 Intermediate Similarity NPC478016
0.7535 Intermediate Similarity NPC478015
0.7518 Intermediate Similarity NPC237420
0.75 Intermediate Similarity NPC315276
0.75 Intermediate Similarity NPC470544
0.75 Intermediate Similarity NPC14672
0.75 Intermediate Similarity NPC285926
0.7485 Intermediate Similarity NPC470903
0.7485 Intermediate Similarity NPC167763
0.7485 Intermediate Similarity NPC470112
0.7483 Intermediate Similarity NPC111428
0.747 Intermediate Similarity NPC196091
0.7469 Intermediate Similarity NPC469901
0.7439 Intermediate Similarity NPC217804
0.7439 Intermediate Similarity NPC210377
0.7439 Intermediate Similarity NPC22883
0.7439 Intermediate Similarity NPC5719
0.7438 Intermediate Similarity NPC469903
0.7421 Intermediate Similarity NPC262166
0.7413 Intermediate Similarity NPC190663
0.7413 Intermediate Similarity NPC477061
0.7413 Intermediate Similarity NPC45777
0.7403 Intermediate Similarity NPC77905
0.7399 Intermediate Similarity NPC299806
0.7394 Intermediate Similarity NPC15068
0.7381 Intermediate Similarity NPC306804
0.7376 Intermediate Similarity NPC239357
0.7357 Intermediate Similarity NPC33742
0.7351 Intermediate Similarity NPC141050
0.7349 Intermediate Similarity NPC294516
0.7349 Intermediate Similarity NPC63040
0.7349 Intermediate Similarity NPC107938
0.7337 Intermediate Similarity NPC279871
0.7337 Intermediate Similarity NPC471165
0.7337 Intermediate Similarity NPC476227
0.7337 Intermediate Similarity NPC159767
0.7337 Intermediate Similarity NPC155506
0.7325 Intermediate Similarity NPC16188
0.7314 Intermediate Similarity NPC4910
0.731 Intermediate Similarity NPC160493
0.7292 Intermediate Similarity NPC80150
0.7286 Intermediate Similarity NPC276949
0.7286 Intermediate Similarity NPC35850
0.7279 Intermediate Similarity NPC47667
0.7262 Intermediate Similarity NPC40234
0.7262 Intermediate Similarity NPC46009
0.7261 Intermediate Similarity NPC81026
0.7256 Intermediate Similarity NPC469902
0.7255 Intermediate Similarity NPC43755
0.725 Intermediate Similarity NPC300443
0.7241 Intermediate Similarity NPC71684
0.7229 Intermediate Similarity NPC63931
0.7219 Intermediate Similarity NPC89831
0.7219 Intermediate Similarity NPC230611
0.7216 Intermediate Similarity NPC329731
0.7209 Intermediate Similarity NPC269750
0.7209 Intermediate Similarity NPC194671
0.7208 Intermediate Similarity NPC89489
0.7205 Intermediate Similarity NPC202198
0.7202 Intermediate Similarity NPC473000
0.7197 Intermediate Similarity NPC266741
0.7195 Intermediate Similarity NPC319320
0.7195 Intermediate Similarity NPC287757
0.7195 Intermediate Similarity NPC469898
0.7193 Intermediate Similarity NPC469900
0.7176 Intermediate Similarity NPC273755
0.7167 Intermediate Similarity NPC59827
0.7167 Intermediate Similarity NPC184933
0.716 Intermediate Similarity NPC39431
0.7143 Intermediate Similarity NPC233702
0.7135 Intermediate Similarity NPC473354
0.7135 Intermediate Similarity NPC473402
0.7134 Intermediate Similarity NPC324850
0.7108 Intermediate Similarity NPC73655
0.7107 Intermediate Similarity NPC311658
0.7101 Intermediate Similarity NPC186617
0.7101 Intermediate Similarity NPC171734
0.7099 Intermediate Similarity NPC261934
0.7099 Intermediate Similarity NPC5194
0.7093 Intermediate Similarity NPC50016
0.7092 Intermediate Similarity NPC273814
0.7092 Intermediate Similarity NPC474584
0.7089 Intermediate Similarity NPC471680
0.7083 Intermediate Similarity NPC254700
0.7081 Intermediate Similarity NPC473491
0.7059 Intermediate Similarity NPC471568
0.7059 Intermediate Similarity NPC473693
0.7049 Intermediate Similarity NPC477527
0.7045 Intermediate Similarity NPC471049

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC129666 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
0.8592 High Similarity NPD8173 Phase 2
0.8592 High Similarity NPD8172 Phase 2
0.8392 Intermediate Similarity NPD7113 Clinical (unspecified phase)
0.8261 Intermediate Similarity NPD2584 Suspended
0.7945 Intermediate Similarity NPD8416 Discontinued
0.7847 Intermediate Similarity NPD4175 Approved
0.7847 Intermediate Similarity NPD4177 Approved
0.7778 Intermediate Similarity NPD8323 Discontinued
0.777 Intermediate Similarity NPD8643 Discontinued
0.7718 Intermediate Similarity NPD5725 Approved
0.7718 Intermediate Similarity NPD6073 Approved
0.7708 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.7671 Intermediate Similarity NPD4125 Approved
0.7655 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD5747 Discontinued
0.7517 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3072 Approved
0.75 Intermediate Similarity NPD3071 Approved
0.75 Intermediate Similarity NPD3073 Approved
0.7434 Intermediate Similarity NPD6852 Discontinued
0.7431 Intermediate Similarity NPD4761 Approved
0.7431 Intermediate Similarity NPD4762 Approved
0.7419 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD8417 Discontinued
0.7383 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD7613 Discontinued
0.7351 Intermediate Similarity NPD4153 Approved
0.7315 Intermediate Similarity NPD4676 Approved
0.7315 Intermediate Similarity NPD5263 Approved
0.729 Intermediate Similarity NPD8076 Discontinued
0.7278 Intermediate Similarity NPD8124 Phase 3
0.7278 Intermediate Similarity NPD8126 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD4794 Discontinued
0.7239 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD8265 Approved
0.7237 Intermediate Similarity NPD6623 Phase 3
0.7237 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD7511 Approved
0.7226 Intermediate Similarity NPD7512 Approved
0.7208 Intermediate Similarity NPD6901 Phase 3
0.7197 Intermediate Similarity NPD5265 Approved
0.7197 Intermediate Similarity NPD5264 Approved
0.7192 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7599 Phase 2
0.7134 Intermediate Similarity NPD2436 Approved
0.7134 Intermediate Similarity NPD2437 Approved
0.7133 Intermediate Similarity NPD5759 Approved
0.7125 Intermediate Similarity NPD6088 Approved
0.7124 Intermediate Similarity NPD5296 Approved
0.7108 Intermediate Similarity NPD7600 Phase 2
0.7086 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD8303 Discontinued
0.7076 Intermediate Similarity NPD7964 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD7965 Phase 2
0.7055 Intermediate Similarity NPD8315 Phase 1
0.7048 Intermediate Similarity NPD4557 Approved
0.7039 Intermediate Similarity NPD4738 Phase 2
0.7032 Intermediate Similarity NPD7510 Approved
0.703 Intermediate Similarity NPD7749 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD3626 Phase 3
0.702 Intermediate Similarity NPD3040 Approved
0.7019 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.6993 Remote Similarity NPD1330 Phase 2
0.6993 Remote Similarity NPD4619 Approved
0.6993 Remote Similarity NPD1329 Clinical (unspecified phase)
0.6993 Remote Similarity NPD4621 Approved
0.6993 Remote Similarity NPD3632 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6294 Approved
0.6987 Remote Similarity NPD6295 Approved
0.698 Remote Similarity NPD4677 Discontinued
0.6974 Remote Similarity NPD2613 Approved
0.6962 Remote Similarity NPD4152 Approved
0.6962 Remote Similarity NPD2022 Approved
0.6959 Remote Similarity NPD4218 Approved
0.6959 Remote Similarity NPD2608 Approved
0.6959 Remote Similarity NPD4215 Approved
0.6959 Remote Similarity NPD2609 Approved
0.6959 Remote Similarity NPD2612 Approved
0.6959 Remote Similarity NPD3131 Approved
0.6959 Remote Similarity NPD3132 Approved
0.6959 Remote Similarity NPD2610 Approved
0.6959 Remote Similarity NPD4217 Approved
0.6959 Remote Similarity NPD2611 Approved
0.6959 Remote Similarity NPD4216 Approved
0.6954 Remote Similarity NPD3604 Clinical (unspecified phase)
0.6951 Remote Similarity NPD4648 Approved
0.6951 Remote Similarity NPD4647 Approved
0.6951 Remote Similarity NPD4646 Approved
0.6948 Remote Similarity NPD3089 Approved
0.6948 Remote Similarity NPD3616 Approved
0.6948 Remote Similarity NPD2573 Approved
0.6948 Remote Similarity NPD3615 Approved
0.6948 Remote Similarity NPD3088 Approved
0.6948 Remote Similarity NPD3087 Approved
0.6948 Remote Similarity NPD2566 Approved
0.6948 Remote Similarity NPD3090 Approved
0.6948 Remote Similarity NPD4746 Phase 3
0.6948 Remote Similarity NPD4745 Approved
0.6948 Remote Similarity NPD3614 Approved
0.6948 Remote Similarity NPD2571 Approved
0.6948 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6948 Remote Similarity NPD2570 Approved
0.6948 Remote Similarity NPD2574 Discontinued
0.6943 Remote Similarity NPD3480 Approved
0.6937 Remote Similarity NPD5298 Clinical (unspecified phase)
0.6933 Remote Similarity NPD5230 Approved
0.6933 Remote Similarity NPD5229 Approved
0.6928 Remote Similarity NPD2048 Approved
0.6928 Remote Similarity NPD2045 Approved
0.6928 Remote Similarity NPD2044 Approved
0.6928 Remote Similarity NPD2047 Approved
0.6928 Remote Similarity NPD2051 Approved
0.6928 Remote Similarity NPD21 Approved
0.6928 Remote Similarity NPD2049 Clinical (unspecified phase)
0.6928 Remote Similarity NPD2046 Approved
0.6928 Remote Similarity NPD2050 Clinical (unspecified phase)
0.6928 Remote Similarity NPD2043 Approved
0.6918 Remote Similarity NPD6681 Discovery
0.6918 Remote Similarity NPD6343 Approved
0.6918 Remote Similarity NPD6345 Approved
0.6903 Remote Similarity NPD5323 Approved
0.6883 Remote Similarity NPD2078 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4126 Approved
0.6871 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6864 Remote Similarity NPD8351 Phase 2
0.6859 Remote Similarity NPD4685 Phase 3
0.6859 Remote Similarity NPD4686 Approved
0.6859 Remote Similarity NPD4684 Phase 3
0.6855 Remote Similarity NPD2088 Approved
0.6855 Remote Similarity NPD2087 Approved
0.6855 Remote Similarity NPD7720 Phase 2
0.6842 Remote Similarity NPD3588 Discontinued
0.6839 Remote Similarity NPD3561 Clinical (unspecified phase)
0.6833 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6831 Remote Similarity NPD3644 Approved
0.6831 Remote Similarity NPD3642 Approved
0.6831 Remote Similarity NPD3643 Approved
0.6828 Remote Similarity NPD1348 Approved
0.6821 Remote Similarity NPD6792 Phase 3
0.6821 Remote Similarity NPD3125 Approved
0.6803 Remote Similarity NPD2217 Approved
0.6803 Remote Similarity NPD2218 Phase 2
0.6797 Remote Similarity NPD3663 Approved
0.6797 Remote Similarity NPD3661 Approved
0.6797 Remote Similarity NPD3662 Phase 3
0.6797 Remote Similarity NPD3664 Approved
0.679 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6774 Remote Similarity NPD5299 Approved
0.6757 Remote Similarity NPD5981 Approved
0.6735 Remote Similarity NPD5990 Approved
0.6735 Remote Similarity NPD5991 Approved
0.6732 Remote Similarity NPD4151 Approved
0.673 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7342 Discontinued
0.6711 Remote Similarity NPD5367 Discontinued
0.6707 Remote Similarity NPD5614 Approved
0.6707 Remote Similarity NPD3988 Approved
0.6707 Remote Similarity NPD3987 Approved
0.6707 Remote Similarity NPD5613 Approved
0.6706 Remote Similarity NPD7080 Clinical (unspecified phase)
0.669 Remote Similarity NPD2652 Approved
0.669 Remote Similarity NPD2650 Approved
0.669 Remote Similarity NPD3598 Phase 3
0.6688 Remote Similarity NPD5204 Approved
0.6667 Remote Similarity NPD5581 Approved
0.6667 Remote Similarity NPD2626 Approved
0.6667 Remote Similarity NPD2625 Approved
0.6667 Remote Similarity NPD2160 Approved
0.6667 Remote Similarity NPD2628 Approved
0.6667 Remote Similarity NPD2627 Approved
0.6667 Remote Similarity NPD2159 Approved
0.6646 Remote Similarity NPD8290 Clinical (unspecified phase)
0.6646 Remote Similarity NPD3908 Approved
0.6644 Remote Similarity NPD747 Discontinued
0.6627 Remote Similarity NPD5638 Approved
0.6627 Remote Similarity NPD7105 Phase 1
0.6627 Remote Similarity NPD6078 Clinical (unspecified phase)
0.6626 Remote Similarity NPD2575 Approved
0.6626 Remote Similarity NPD6676 Phase 2
0.6623 Remote Similarity NPD5338 Clinical (unspecified phase)
0.6623 Remote Similarity NPD3529 Phase 2
0.6622 Remote Similarity NPD7522 Discontinued
0.661 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6609 Remote Similarity NPD7484 Phase 3
0.6609 Remote Similarity NPD7485 Phase 3
0.6605 Remote Similarity NPD6119 Clinical (unspecified phase)
0.6601 Remote Similarity NPD2031 Discontinued
0.6588 Remote Similarity NPD7011 Discontinued
0.6587 Remote Similarity NPD7131 Phase 3
0.6585 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6584 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7814 Approved
0.6566 Remote Similarity NPD4682 Phase 2
0.6561 Remote Similarity NPD7908 Discontinued

Structure

External Identifiers

PubChem CID   11803484
ChEMBL   CHEMBL505780
ZINC  

Physicochemical Properties

Molecular Weight:  807.48
ALogP:  -1.6022
MLogP:  4.76
XLogP:  7.105
# Rotatable Bonds:  22
Polar Surface Area:  190.99
# H-Bond Aceptor:  14
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  58

Download Data

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Biological Activities  
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