Natural Product: NPC252878

Natural Product ID:  NPC252878
Common Name:   Dianthin H
IUPAC Name:   (6S,9S,12S,15S,18S)-6-benzyl-9-[(2S)-butan-2-yl]-12-[(1R)-1-hydroxyethyl]-15-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Synonyms:   Dianthin H
Molecular Formula:   C31H46N6O7
Standard InCHIKey:  BIAZNRXHSJRPQY-IQOHNXNXSA-N
Standard InCHI:  InChI=1S/C31H46N6O7/c1-6-18(4)25-30(43)33-21(15-20-11-8-7-9-12-20)27(40)32-16-23(39)37-14-10-13-22(37)28(41)34-24(17(2)3)29(42)36-26(19(5)38)31(44)35-25/h7-9,11-12,17-19,21-22,24-26,38H,6,10,13-16H2,1-5H3,(H,32,40)(H,33,43)(H,34,41)(H,35,44)(H,36,42)/t18-,19+,21-,22-,24-,25-,26-/m0/s1
Canonical SMILES:  CC[C@@H]([C@@H]1N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H]2N(C(=O)CN=C([C@@H](N=C1O)Cc1ccccc1)O)CCC2)C(C)C)[C@H](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
NPO23323 Dianthus superbus Species Caryophyllaceae Eukaryota PMID[22325941]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 22.5 % 18183025
NPT2 Others Unspecified Activity = 26.3 % 18183025
NPT2 Others Unspecified Activity = 17 % 17850214
NPT2 Others Unspecified Activity = 17.2 % 17850214
NPT2 Others Unspecified Activity = 33.9 % 18183025

  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 NPC252878 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
0.9913 High Similarity NPC46427
0.9825 High Similarity NPC476990
0.9739 High Similarity NPC202521
0.9573 High Similarity NPC6975
0.904 High Similarity NPC287401
0.9032 High Similarity NPC130309
0.8833 High Similarity NPC200964
0.879 High Similarity NPC319766
0.8682 High Similarity NPC471264
0.8682 High Similarity NPC471265
0.8672 High Similarity NPC248283
0.8655 High Similarity NPC470544
0.8636 High Similarity NPC476978
0.8583 High Similarity NPC470545
0.8512 High Similarity NPC470546
0.8504 High Similarity NPC300315
0.8468 Intermediate Similarity NPC474082
0.8468 Intermediate Similarity NPC175726
0.8438 Intermediate Similarity NPC255447
0.8433 Intermediate Similarity NPC315266
0.8433 Intermediate Similarity NPC5620
0.8409 Intermediate Similarity NPC239762
0.8409 Intermediate Similarity NPC163392
0.8385 Intermediate Similarity NPC141050
0.8333 Intermediate Similarity NPC98424
0.8333 Intermediate Similarity NPC178662
0.8333 Intermediate Similarity NPC470884
0.8333 Intermediate Similarity NPC476133
0.8333 Intermediate Similarity NPC92784
0.8321 Intermediate Similarity NPC2501
0.8296 Intermediate Similarity NPC209509
0.8284 Intermediate Similarity NPC161069
0.8281 Intermediate Similarity NPC473322
0.8261 Intermediate Similarity NPC475168
0.8261 Intermediate Similarity NPC7817
0.8222 Intermediate Similarity NPC52748
0.8217 Intermediate Similarity NPC200589
0.8209 Intermediate Similarity NPC269398
0.8209 Intermediate Similarity NPC263493
0.8197 Intermediate Similarity NPC14672
0.8197 Intermediate Similarity NPC315276
0.8197 Intermediate Similarity NPC285926
0.8188 Intermediate Similarity NPC129666
0.8143 Intermediate Similarity NPC122590
0.812 Intermediate Similarity NPC68865
0.8103 Intermediate Similarity NPC88267
0.8103 Intermediate Similarity NPC113326
0.8103 Intermediate Similarity NPC194390
0.8103 Intermediate Similarity NPC224610
0.8102 Intermediate Similarity NPC314358
0.8085 Intermediate Similarity NPC470902
0.8074 Intermediate Similarity NPC476989
0.8049 Intermediate Similarity NPC239357
0.8047 Intermediate Similarity NPC101719
0.8043 Intermediate Similarity NPC138775
0.8033 Intermediate Similarity NPC33742
0.8029 Intermediate Similarity NPC316008
0.8029 Intermediate Similarity NPC313867
0.8016 Intermediate Similarity NPC71684
0.8014 Intermediate Similarity NPC262166
0.8 Intermediate Similarity NPC476259
0.8 Intermediate Similarity NPC473491
0.8 Intermediate Similarity NPC111428
0.7986 Intermediate Similarity NPC471820
0.7986 Intermediate Similarity NPC471821
0.7971 Intermediate Similarity NPC262077
0.7969 Intermediate Similarity NPC22746
0.7969 Intermediate Similarity NPC222466
0.7956 Intermediate Similarity NPC314388
0.7956 Intermediate Similarity NPC315283
0.7955 Intermediate Similarity NPC246079
0.7951 Intermediate Similarity NPC276949
0.7951 Intermediate Similarity NPC35850
0.7943 Intermediate Similarity NPC162104
0.7929 Intermediate Similarity NPC283783
0.7917 Intermediate Similarity NPC197743
0.7917 Intermediate Similarity NPC297145
0.7914 Intermediate Similarity NPC329761
0.7914 Intermediate Similarity NPC225648
0.7899 Intermediate Similarity NPC322878
0.7868 Intermediate Similarity NPC307357
0.7868 Intermediate Similarity NPC268841
0.7868 Intermediate Similarity NPC46098
0.7863 Intermediate Similarity NPC469666
0.7852 Intermediate Similarity NPC127741
0.781 Intermediate Similarity NPC168113
0.781 Intermediate Similarity NPC469427
0.781 Intermediate Similarity NPC469426
0.7807 Intermediate Similarity NPC25565
0.7794 Intermediate Similarity NPC89489
0.7786 Intermediate Similarity NPC16188
0.7786 Intermediate Similarity NPC145113
0.7778 Intermediate Similarity NPC244509
0.777 Intermediate Similarity NPC471680
0.7762 Intermediate Similarity NPC473341
0.7754 Intermediate Similarity NPC197682
0.7754 Intermediate Similarity NPC176226
0.7754 Intermediate Similarity NPC139326
0.7754 Intermediate Similarity NPC77905
0.774 Intermediate Similarity NPC469898
0.7739 Intermediate Similarity NPC473501
0.7739 Intermediate Similarity NPC475439
0.773 Intermediate Similarity NPC240848
0.7698 Intermediate Similarity NPC169328
0.766 Intermediate Similarity NPC135121
0.7656 Intermediate Similarity NPC477061
0.7656 Intermediate Similarity NPC45777
0.7655 Intermediate Similarity NPC476268
0.7643 Intermediate Similarity NPC477217
0.7643 Intermediate Similarity NPC201244
0.7638 Intermediate Similarity NPC310467
0.7635 Intermediate Similarity NPC73655
0.7619 Intermediate Similarity NPC244336
0.755 Intermediate Similarity NPC302597
0.7519 Intermediate Similarity NPC478015
0.7519 Intermediate Similarity NPC478016
0.7519 Intermediate Similarity NPC478014
0.7518 Intermediate Similarity NPC266741
0.7517 Intermediate Similarity NPC56685
0.7517 Intermediate Similarity NPC202198
0.7517 Intermediate Similarity NPC5194
0.7517 Intermediate Similarity NPC261934
0.75 Intermediate Similarity NPC237420
0.75 Intermediate Similarity NPC62104
0.75 Intermediate Similarity NPC1390
0.7483 Intermediate Similarity NPC254700
0.7483 Intermediate Similarity NPC105717
0.7465 Intermediate Similarity NPC81026
0.7451 Intermediate Similarity NPC475123
0.7451 Intermediate Similarity NPC475204
0.745 Intermediate Similarity NPC469901
0.745 Intermediate Similarity NPC471527
0.7426 Intermediate Similarity NPC325479
0.7414 Intermediate Similarity NPC58674
0.7413 Intermediate Similarity NPC311658
0.741 Intermediate Similarity NPC242159
0.741 Intermediate Similarity NPC132636
0.741 Intermediate Similarity NPC313694
0.7386 Intermediate Similarity NPC473000
0.7377 Intermediate Similarity NPC474804
0.7377 Intermediate Similarity NPC130898
0.7377 Intermediate Similarity NPC474973
0.7368 Intermediate Similarity NPC47667
0.7364 Intermediate Similarity NPC314992
0.7355 Intermediate Similarity NPC137627
0.7351 Intermediate Similarity NPC471053
0.7351 Intermediate Similarity NPC471052
0.7351 Intermediate Similarity NPC471051
0.7344 Intermediate Similarity NPC2265
0.7329 Intermediate Similarity NPC233702
0.7315 Intermediate Similarity NPC326349
0.7315 Intermediate Similarity NPC324850
0.7315 Intermediate Similarity NPC323336
0.7308 Intermediate Similarity NPC477462
0.7308 Intermediate Similarity NPC471165
0.7308 Intermediate Similarity NPC26108
0.7303 Intermediate Similarity NPC472923
0.7303 Intermediate Similarity NPC210377
0.7303 Intermediate Similarity NPC5719
0.7303 Intermediate Similarity NPC217804
0.7303 Intermediate Similarity NPC22883
0.7302 Intermediate Similarity NPC474584
0.7302 Intermediate Similarity NPC273814
0.7297 Intermediate Similarity NPC469903
0.7295 Intermediate Similarity NPC143516
0.729 Intermediate Similarity NPC328494
0.7279 Intermediate Similarity NPC286551
0.7273 Intermediate Similarity NPC280022
0.7266 Intermediate Similarity NPC118099
0.7266 Intermediate Similarity NPC9687
0.7266 Intermediate Similarity NPC475598
0.7266 Intermediate Similarity NPC90194
0.7266 Intermediate Similarity NPC474855
0.7266 Intermediate Similarity NPC293377
0.7266 Intermediate Similarity NPC79465
0.7266 Intermediate Similarity NPC475318
0.7266 Intermediate Similarity NPC474787
0.7266 Intermediate Similarity NPC151706
0.7266 Intermediate Similarity NPC49577
0.7266 Intermediate Similarity NPC474811
0.7266 Intermediate Similarity NPC76785
0.7266 Intermediate Similarity NPC476102
0.7266 Intermediate Similarity NPC260045
0.7266 Intermediate Similarity NPC273907
0.7265 Intermediate Similarity NPC303045
0.7265 Intermediate Similarity NPC161972
0.7254 Intermediate Similarity NPC468984
0.7239 Intermediate Similarity NPC477249
0.7239 Intermediate Similarity NPC477248
0.7208 Intermediate Similarity NPC63040
0.7208 Intermediate Similarity NPC107938
0.7208 Intermediate Similarity NPC294516
0.7197 Intermediate Similarity NPC136797
0.719 Intermediate Similarity NPC63931
0.7179 Intermediate Similarity NPC89831
0.7171 Intermediate Similarity NPC241794
0.7152 Intermediate Similarity NPC469900
0.7143 Intermediate Similarity NPC15068
0.7132 Intermediate Similarity NPC188010
0.7132 Intermediate Similarity NPC101139

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC252878 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
0.8828 High Similarity NPD8172 Phase 2
0.8828 High Similarity NPD8173 Phase 2
0.8605 High Similarity NPD7113 Clinical (unspecified phase)
0.8203 Intermediate Similarity NPD5339 Clinical (unspecified phase)
0.8175 Intermediate Similarity NPD2584 Suspended
0.8125 Intermediate Similarity NPD2585 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7728 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD4125 Approved
0.7852 Intermediate Similarity NPD4782 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD8416 Discontinued
0.7836 Intermediate Similarity NPD4791 Clinical (unspecified phase)
0.7795 Intermediate Similarity NPD7342 Discontinued
0.7786 Intermediate Similarity NPD8323 Discontinued
0.777 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD3626 Phase 3
0.7698 Intermediate Similarity NPD7522 Discontinued
0.7671 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD7979 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD7130 Phase 3
0.7615 Intermediate Similarity NPD3073 Approved
0.7615 Intermediate Similarity NPD3072 Approved
0.7615 Intermediate Similarity NPD3071 Approved
0.7612 Intermediate Similarity NPD6919 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD4177 Approved
0.7594 Intermediate Similarity NPD4175 Approved
0.7571 Intermediate Similarity NPD5341 Clinical (unspecified phase)
0.7569 Intermediate Similarity NPD7613 Discontinued
0.7556 Intermediate Similarity NPD3632 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD4761 Approved
0.7538 Intermediate Similarity NPD4762 Approved
0.75 Intermediate Similarity NPD8076 Discontinued
0.7464 Intermediate Similarity NPD5725 Approved
0.7464 Intermediate Similarity NPD6073 Approved
0.741 Intermediate Similarity NPD6901 Phase 3
0.7407 Intermediate Similarity NPD4676 Approved
0.7407 Intermediate Similarity NPD5263 Approved
0.7391 Intermediate Similarity NPD8643 Discontinued
0.7388 Intermediate Similarity NPD3608 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD3588 Discontinued
0.7376 Intermediate Similarity NPD2022 Approved
0.7368 Intermediate Similarity NPD6792 Phase 3
0.7364 Intermediate Similarity NPD2217 Approved
0.7364 Intermediate Similarity NPD2218 Phase 2
0.7353 Intermediate Similarity NPD2049 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD2043 Approved
0.7353 Intermediate Similarity NPD2048 Approved
0.7353 Intermediate Similarity NPD2044 Approved
0.7353 Intermediate Similarity NPD2051 Approved
0.7353 Intermediate Similarity NPD2045 Approved
0.7353 Intermediate Similarity NPD2050 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD2047 Approved
0.7353 Intermediate Similarity NPD21 Approved
0.7353 Intermediate Similarity NPD2046 Approved
0.7343 Intermediate Similarity NPD6676 Phase 2
0.731 Intermediate Similarity NPD6631 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD1330 Phase 2
0.7299 Intermediate Similarity NPD1329 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4706 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD7508 Discontinued
0.7254 Intermediate Similarity NPD2087 Approved
0.7254 Intermediate Similarity NPD2088 Approved
0.725 Intermediate Similarity NPD4760 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD7267 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7634 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD5747 Discontinued
0.7241 Intermediate Similarity NPD8290 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD5367 Discontinued
0.7239 Intermediate Similarity NPD3125 Approved
0.723 Intermediate Similarity NPD8315 Phase 1
0.7226 Intermediate Similarity NPD4794 Discontinued
0.7209 Intermediate Similarity NPD3123 Discovery
0.7192 Intermediate Similarity NPD7892 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD854 Approved
0.719 Intermediate Similarity NPD855 Approved
0.7174 Intermediate Similarity NPD2078 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD6852 Discontinued
0.7143 Intermediate Similarity NPD5338 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4757 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD8124 Phase 3
0.7134 Intermediate Similarity NPD8126 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD3604 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD4814 Discontinued
0.7113 Intermediate Similarity NPD3480 Approved
0.7105 Intermediate Similarity NPD4557 Approved
0.7094 Intermediate Similarity NPD6690 Approved
0.7083 Intermediate Similarity NPD2437 Approved
0.7083 Intermediate Similarity NPD6681 Discovery
0.7083 Intermediate Similarity NPD2436 Approved
0.708 Intermediate Similarity NPD5759 Approved
0.708 Intermediate Similarity NPD3040 Approved
0.7075 Intermediate Similarity NPD3988 Approved
0.7075 Intermediate Similarity NPD5614 Approved
0.7075 Intermediate Similarity NPD3987 Approved
0.7075 Intermediate Similarity NPD5613 Approved
0.7071 Intermediate Similarity NPD5323 Approved
0.7071 Intermediate Similarity NPD8265 Approved
0.7071 Intermediate Similarity NPD4153 Approved
0.705 Intermediate Similarity NPD7908 Discontinued
0.704 Intermediate Similarity NPD6406 Approved
0.704 Intermediate Similarity NPD6038 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD7011 Discontinued
0.7037 Intermediate Similarity NPD4677 Discontinued
0.7032 Intermediate Similarity NPD8303 Discontinued
0.7016 Intermediate Similarity NPD999 Phase 2
0.7014 Intermediate Similarity NPD7720 Phase 2
0.7 Intermediate Similarity NPD4647 Approved
0.7 Intermediate Similarity NPD4646 Approved
0.7 Intermediate Similarity NPD3561 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD8118 Discontinued
0.7 Intermediate Similarity NPD4648 Approved
0.698 Remote Similarity NPD5229 Approved
0.698 Remote Similarity NPD6078 Clinical (unspecified phase)
0.698 Remote Similarity NPD5230 Approved
0.6978 Remote Similarity NPD4738 Phase 2
0.695 Remote Similarity NPD6623 Phase 3
0.6949 Remote Similarity NPD1814 Approved
0.6949 Remote Similarity NPD1812 Approved
0.6944 Remote Similarity NPD7511 Approved
0.6944 Remote Similarity NPD7512 Approved
0.6929 Remote Similarity NPD5299 Approved
0.6923 Remote Similarity NPD4126 Approved
0.6918 Remote Similarity NPD5264 Approved
0.6918 Remote Similarity NPD5265 Approved
0.6918 Remote Similarity NPD7965 Phase 2
0.6918 Remote Similarity NPD7964 Clinical (unspecified phase)
0.6917 Remote Similarity NPD4504 Clinical (unspecified phase)
0.6908 Remote Similarity NPD8417 Discontinued
0.6906 Remote Similarity NPD2613 Approved
0.6903 Remote Similarity NPD8351 Phase 2
0.6899 Remote Similarity NPD4165 Phase 2
0.6899 Remote Similarity NPD3066 Phase 2
0.6891 Remote Similarity NPD1080 Approved
0.6889 Remote Similarity NPD2609 Approved
0.6889 Remote Similarity NPD3529 Phase 2
0.6889 Remote Similarity NPD4217 Approved
0.6889 Remote Similarity NPD4215 Approved
0.6889 Remote Similarity NPD3132 Approved
0.6889 Remote Similarity NPD2610 Approved
0.6889 Remote Similarity NPD4216 Approved
0.6889 Remote Similarity NPD2608 Approved
0.6889 Remote Similarity NPD3131 Approved
0.6889 Remote Similarity NPD2612 Approved
0.6889 Remote Similarity NPD4218 Approved
0.6889 Remote Similarity NPD2611 Approved
0.6887 Remote Similarity NPD6670 Clinical (unspecified phase)
0.6879 Remote Similarity NPD941 Approved
0.6875 Remote Similarity NPD2583 Phase 2
0.6875 Remote Similarity NPD3644 Approved
0.6875 Remote Similarity NPD3643 Approved
0.6875 Remote Similarity NPD3642 Approved
0.6867 Remote Similarity NPD7303 Discontinued
0.6861 Remote Similarity NPD6325 Discontinued
0.6861 Remote Similarity NPD2031 Discontinued
0.6846 Remote Similarity NPD6088 Approved
0.6835 Remote Similarity NPD7485 Phase 3
0.6835 Remote Similarity NPD7484 Phase 3
0.6831 Remote Similarity NPD5296 Approved
0.6824 Remote Similarity NPD7602 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1344 Phase 2
0.6812 Remote Similarity NPD3029 Clinical (unspecified phase)
0.6786 Remote Similarity NPD6359 Clinical (unspecified phase)
0.6783 Remote Similarity NPD3577 Discontinued
0.6774 Remote Similarity NPD4719 Phase 2
0.6769 Remote Similarity NPD480 Approved
0.6765 Remote Similarity NPD7462 Clinical (unspecified phase)
0.6763 Remote Similarity NPD4151 Approved
0.6761 Remote Similarity NPD2573 Approved
0.6761 Remote Similarity NPD3616 Approved
0.6761 Remote Similarity NPD3615 Approved
0.6761 Remote Similarity NPD3087 Approved
0.6761 Remote Similarity NPD2566 Approved
0.6761 Remote Similarity NPD3088 Approved
0.6761 Remote Similarity NPD3614 Approved
0.6761 Remote Similarity NPD4746 Phase 3
0.6761 Remote Similarity NPD2574 Discontinued
0.6761 Remote Similarity NPD2570 Approved
0.6761 Remote Similarity NPD2571 Approved
0.6761 Remote Similarity NPD3090 Approved
0.6761 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6761 Remote Similarity NPD3089 Approved
0.6761 Remote Similarity NPD4745 Approved
0.6759 Remote Similarity NPD5301 Clinical (unspecified phase)
0.6746 Remote Similarity NPD5717 Approved
0.6744 Remote Similarity NPD4254 Approved
0.6744 Remote Similarity NPD4253 Approved
0.6742 Remote Similarity NPD1348 Approved
0.6741 Remote Similarity NPD5723 Approved
0.6739 Remote Similarity NPD2634 Clinical (unspecified phase)
0.6738 Remote Similarity NPD3136 Phase 2
0.6736 Remote Similarity NPD7510 Approved
0.6735 Remote Similarity NPD6119 Clinical (unspecified phase)
0.6731 Remote Similarity NPD2097 Approved
0.6718 Remote Similarity NPD3598 Phase 3
0.6716 Remote Similarity NPD6345 Approved
0.6716 Remote Similarity NPD6343 Approved
0.6715 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6715 Remote Similarity NPD5335 Discontinued
0.6712 Remote Similarity NPD6897 Clinical (unspecified phase)
0.6711 Remote Similarity NPD6552 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7131 Phase 3

Structure

External Identifiers

PubChem CID   57328763
ChEMBL   CHEMBL1957466
ZINC  

Physicochemical Properties

Molecular Weight:  614.34
ALogP:  -2.5219
MLogP:  3.44
XLogP:  3.58
# Rotatable Bonds:  17
Polar Surface Area:  203.49
# H-Bond Aceptor:  13
# H-Bond Donor:  6
# Rings:  3
# Heavy Atoms:  44

Download Data

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Biological Activities  
Similar NPs/Drugs