Natural Product: NPC79921

Natural Product ID:  NPC79921
Common Name:   Dichapetalin I
IUPAC Name:  
Synonyms:   Dichapetalin I
Molecular Formula:   C38H50O6
Standard InCHIKey:  OGIKSTYGXSTZFU-XGDYXWHLSA-N
Standard InCHI:  InChI=1S/C38H50O6/c1-22(19-39)14-25-16-26(33(42)44-25)27-11-13-37-20-38(27,37)32(41)18-30-34(2)12-10-24-15-28(23-8-6-5-7-9-23)43-21-35(24,3)29(34)17-31(40)36(30,37)4/h5-10,14,25-32,39-41H,11-13,15-21H2,1-4H3/b22-14+/t25-,26-,27-,28-,29+,30+,31+,32+,34-,35-,36-,37+,38+/m0/s1
Canonical SMILES:  OC/C(=C/[C@@H]1OC(=O)[C@@H](C1)[C@@H]1CC[C@@]23[C@@]1(C2)[C@H](O)C[C@H]1[C@@]3(C)[C@H](O)C[C@@H]2[C@]1(C)CC=C1[C@]2(C)CO[C@@H](C1)c1ccccc1)/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
NPO9878 Dichapetalum gelonioides Species Dichapetalaceae Eukaryota Stem barks Philippines PMID[16562829]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1851 Cell Line Col2 Homo sapiens ED50 = 4.1 ug/ml 18610999
NPT858 Cell Line LNCaP Homo sapiens ED50 > 20 ug/ml 12617583
NPT2345 Cell Line SW626 Homo sapiens ED50 = 0.5 ug/ml 10.6019/CHEMBL1201861
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 7.6 ug/ml 21557538
NPT136 Cell Line SK-N-SH Homo sapiens ED50 = 9.9 ug/ml 12643898
NPT91 Cell Line KB Homo sapiens ED50 = 16.6 ug/ml 19650639
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 21146414
NPT2 Others Unspecified ED50 > 20 ug/ml 23350733
NPT91 Cell Line KB Homo sapiens ED50 > 20 ug/ml 19908853

  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 NPC79921 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
0.9847 High Similarity NPC262324
0.9697 High Similarity NPC243893
0.9545 High Similarity NPC471864
0.9161 High Similarity NPC261659
0.8889 High Similarity NPC253591
0.8819 High Similarity NPC475561
0.8819 High Similarity NPC475417
0.8623 High Similarity NPC203486
0.854 High Similarity NPC470278
0.8521 High Similarity NPC471862
0.8519 High Similarity NPC253681
0.8506 High Similarity NPC471861
0.8489 Intermediate Similarity NPC48929
0.8378 Intermediate Similarity NPC279442
0.8357 Intermediate Similarity NPC126516
0.8357 Intermediate Similarity NPC329913
0.8333 Intermediate Similarity NPC471856
0.8322 Intermediate Similarity NPC472548
0.831 Intermediate Similarity NPC475373
0.8298 Intermediate Similarity NPC477893
0.8273 Intermediate Similarity NPC72915
0.8267 Intermediate Similarity NPC472658
0.8267 Intermediate Similarity NPC472657
0.8248 Intermediate Similarity NPC5486
0.8212 Intermediate Similarity NPC472549
0.82 Intermediate Similarity NPC477905
0.8194 Intermediate Similarity NPC473440
0.8175 Intermediate Similarity NPC470816
0.8169 Intermediate Similarity NPC477896
0.8162 Intermediate Similarity NPC307139
0.8156 Intermediate Similarity NPC472656
0.8151 Intermediate Similarity NPC477894
0.8148 Intermediate Similarity NPC369
0.8148 Intermediate Similarity NPC293831
0.8141 Intermediate Similarity NPC471858
0.8134 Intermediate Similarity NPC234337
0.8134 Intermediate Similarity NPC133389
0.8134 Intermediate Similarity NPC183339
0.8116 Intermediate Similarity NPC169913
0.8113 Intermediate Similarity NPC471860
0.8112 Intermediate Similarity NPC472372
0.8112 Intermediate Similarity NPC472374
0.8089 Intermediate Similarity NPC471850
0.8088 Intermediate Similarity NPC182333
0.8088 Intermediate Similarity NPC273336
0.8082 Intermediate Similarity NPC475135
0.8082 Intermediate Similarity NPC172311
0.8071 Intermediate Similarity NPC475138
0.8069 Intermediate Similarity NPC248287
0.8069 Intermediate Similarity NPC234548
0.8067 Intermediate Similarity NPC477483
0.8067 Intermediate Similarity NPC325032
0.8067 Intermediate Similarity NPC125033
0.8043 Intermediate Similarity NPC275576
0.8029 Intermediate Similarity NPC77691
0.8014 Intermediate Similarity NPC224491
0.8 Intermediate Similarity NPC471859
0.7987 Intermediate Similarity NPC473602
0.7986 Intermediate Similarity NPC473220
0.7986 Intermediate Similarity NPC470753
0.7975 Intermediate Similarity NPC477491
0.7974 Intermediate Similarity NPC473632
0.7974 Intermediate Similarity NPC132599
0.7974 Intermediate Similarity NPC473611
0.7974 Intermediate Similarity NPC469730
0.7973 Intermediate Similarity NPC475122
0.7972 Intermediate Similarity NPC4242
0.7972 Intermediate Similarity NPC471911
0.7972 Intermediate Similarity NPC310662
0.7959 Intermediate Similarity NPC63737
0.7959 Intermediate Similarity NPC140021
0.7945 Intermediate Similarity NPC100913
0.7945 Intermediate Similarity NPC90614
0.7945 Intermediate Similarity NPC275592
0.7943 Intermediate Similarity NPC147561
0.7943 Intermediate Similarity NPC472388
0.7935 Intermediate Similarity NPC476784
0.7931 Intermediate Similarity NPC249817
0.7931 Intermediate Similarity NPC39549
0.7922 Intermediate Similarity NPC154675
0.7919 Intermediate Similarity NPC171525
0.7919 Intermediate Similarity NPC470157
0.7919 Intermediate Similarity NPC472556
0.7919 Intermediate Similarity NPC476973
0.7919 Intermediate Similarity NPC472571
0.7919 Intermediate Similarity NPC469349
0.7919 Intermediate Similarity NPC96903
0.7919 Intermediate Similarity NPC184817
0.7919 Intermediate Similarity NPC29704
0.7919 Intermediate Similarity NPC473088
0.7919 Intermediate Similarity NPC472572
0.7919 Intermediate Similarity NPC70403
0.7919 Intermediate Similarity NPC472568
0.7919 Intermediate Similarity NPC471104
0.7919 Intermediate Similarity NPC470159
0.7919 Intermediate Similarity NPC472575
0.7919 Intermediate Similarity NPC200471
0.7919 Intermediate Similarity NPC177940
0.7919 Intermediate Similarity NPC174982
0.7919 Intermediate Similarity NPC158663
0.7914 Intermediate Similarity NPC470765
0.7905 Intermediate Similarity NPC131966
0.7905 Intermediate Similarity NPC95449
0.7905 Intermediate Similarity NPC91703
0.7905 Intermediate Similarity NPC163087
0.7905 Intermediate Similarity NPC191387
0.7899 Intermediate Similarity NPC140118
0.7899 Intermediate Similarity NPC12881
0.7895 Intermediate Similarity NPC473719
0.7891 Intermediate Similarity NPC27377
0.7891 Intermediate Similarity NPC472576
0.7891 Intermediate Similarity NPC41481
0.7891 Intermediate Similarity NPC16912
0.7891 Intermediate Similarity NPC97947
0.7891 Intermediate Similarity NPC291599
0.7891 Intermediate Similarity NPC118080
0.7891 Intermediate Similarity NPC87448
0.7881 Intermediate Similarity NPC266265
0.7881 Intermediate Similarity NPC301556
0.7881 Intermediate Similarity NPC270590
0.7881 Intermediate Similarity NPC471101
0.7881 Intermediate Similarity NPC92293
0.7877 Intermediate Similarity NPC216940
0.7877 Intermediate Similarity NPC22676
0.7877 Intermediate Similarity NPC198621
0.7877 Intermediate Similarity NPC475482
0.7872 Intermediate Similarity NPC225103
0.7867 Intermediate Similarity NPC474935
0.7862 Intermediate Similarity NPC472545
0.7862 Intermediate Similarity NPC477874
0.7862 Intermediate Similarity NPC472551
0.7862 Intermediate Similarity NPC173569
0.7857 Intermediate Similarity NPC171007
0.7857 Intermediate Similarity NPC473670
0.7857 Intermediate Similarity NPC21410
0.7857 Intermediate Similarity NPC190849
0.7852 Intermediate Similarity NPC470152
0.7852 Intermediate Similarity NPC472569
0.7852 Intermediate Similarity NPC188865
0.7852 Intermediate Similarity NPC57628
0.7852 Intermediate Similarity NPC163719
0.7852 Intermediate Similarity NPC472570
0.7852 Intermediate Similarity NPC472573
0.7852 Intermediate Similarity NPC25768
0.7852 Intermediate Similarity NPC11685
0.7852 Intermediate Similarity NPC95810
0.7852 Intermediate Similarity NPC241951
0.7852 Intermediate Similarity NPC475759
0.7852 Intermediate Similarity NPC70716
0.7852 Intermediate Similarity NPC125106
0.7852 Intermediate Similarity NPC95265
0.7852 Intermediate Similarity NPC476974
0.7848 Intermediate Similarity NPC150893
0.7848 Intermediate Similarity NPC478073
0.7848 Intermediate Similarity NPC295408
0.7848 Intermediate Similarity NPC329960
0.7843 Intermediate Similarity NPC469647
0.7843 Intermediate Similarity NPC22571
0.7843 Intermediate Similarity NPC138641
0.7843 Intermediate Similarity NPC283875
0.7843 Intermediate Similarity NPC327962
0.7843 Intermediate Similarity NPC469648
0.7838 Intermediate Similarity NPC183540
0.7838 Intermediate Similarity NPC182869
0.7834 Intermediate Similarity NPC476077
0.7829 Intermediate Similarity NPC7095
0.7826 Intermediate Similarity NPC477488
0.7823 Intermediate Similarity NPC475400
0.7823 Intermediate Similarity NPC97667
0.7823 Intermediate Similarity NPC171207
0.7823 Intermediate Similarity NPC183270
0.7823 Intermediate Similarity NPC472547
0.7823 Intermediate Similarity NPC477904
0.7817 Intermediate Similarity NPC82712
0.7817 Intermediate Similarity NPC473443
0.7817 Intermediate Similarity NPC49272
0.7815 Intermediate Similarity NPC132652
0.7815 Intermediate Similarity NPC281717
0.7806 Intermediate Similarity NPC106895
0.78 Intermediate Similarity NPC477207
0.78 Intermediate Similarity NPC471162
0.7793 Intermediate Similarity NPC473399
0.7793 Intermediate Similarity NPC11266
0.7793 Intermediate Similarity NPC473216
0.7792 Intermediate Similarity NPC237549
0.7792 Intermediate Similarity NPC472005
0.7792 Intermediate Similarity NPC472030
0.7792 Intermediate Similarity NPC158333
0.7792 Intermediate Similarity NPC304876
0.7792 Intermediate Similarity NPC249471
0.7792 Intermediate Similarity NPC257213
0.7792 Intermediate Similarity NPC1173
0.7792 Intermediate Similarity NPC472022
0.7792 Intermediate Similarity NPC265395
0.7792 Intermediate Similarity NPC242262
0.7792 Intermediate Similarity NPC256142
0.7792 Intermediate Similarity NPC473414
0.7785 Intermediate Similarity NPC275477
0.7785 Intermediate Similarity NPC477468
0.7785 Intermediate Similarity NPC55744

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC79921 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
0.8041 Intermediate Similarity NPD7236 Approved
0.7852 Intermediate Similarity NPD7741 Discontinued
0.7778 Intermediate Similarity NPD7239 Suspended
0.7669 Intermediate Similarity NPD7799 Discontinued
0.7586 Intermediate Similarity NPD6663 Approved
0.7582 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD5736 Approved
0.7333 Intermediate Similarity NPD7305 Phase 1
0.7329 Intermediate Similarity NPD7058 Phase 2
0.7329 Intermediate Similarity NPD7057 Phase 3
0.7329 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD8166 Discontinued
0.7299 Intermediate Similarity NPD2629 Approved
0.7279 Intermediate Similarity NPD6858 Approved
0.7279 Intermediate Similarity NPD7094 Approved
0.7256 Intermediate Similarity NPD8127 Discontinued
0.7241 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD6005 Phase 3
0.7124 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD6004 Phase 3
0.7124 Intermediate Similarity NPD6002 Phase 3
0.7124 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD5740 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD6085 Phase 2
0.7122 Intermediate Similarity NPD4198 Discontinued
0.7114 Intermediate Similarity NPD8032 Phase 2
0.7114 Intermediate Similarity NPD7961 Discontinued
0.7101 Intermediate Similarity NPD6010 Discontinued
0.7099 Intermediate Similarity NPD5760 Phase 2
0.7099 Intermediate Similarity NPD5761 Phase 2
0.7095 Intermediate Similarity NPD7008 Discontinued
0.7089 Intermediate Similarity NPD6273 Approved
0.7067 Intermediate Similarity NPD4140 Approved
0.7063 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7228 Approved
0.7012 Intermediate Similarity NPD4967 Phase 2
0.7012 Intermediate Similarity NPD4966 Approved
0.7012 Intermediate Similarity NPD4965 Approved
0.7011 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7714 Approved
0.7 Intermediate Similarity NPD7715 Approved
0.6993 Remote Similarity NPD3019 Approved
0.6993 Remote Similarity NPD5126 Approved
0.6993 Remote Similarity NPD5125 Phase 3
0.6993 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6993 Remote Similarity NPD2932 Approved
0.6987 Remote Similarity NPD4628 Phase 3
0.6971 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6954 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6946 Remote Similarity NPD7199 Phase 2
0.6933 Remote Similarity NPD3764 Approved
0.6933 Remote Similarity NPD37 Approved
0.6903 Remote Similarity NPD5762 Approved
0.6903 Remote Similarity NPD5763 Approved
0.6889 Remote Similarity NPD5048 Discontinued
0.6884 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7033 Discontinued
0.6879 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6875 Remote Similarity NPD8434 Phase 2
0.6857 Remote Similarity NPD8407 Phase 2
0.6852 Remote Similarity NPD7458 Discontinued
0.6839 Remote Similarity NPD6099 Approved
0.6839 Remote Similarity NPD6100 Approved
0.6838 Remote Similarity NPD6685 Approved
0.6826 Remote Similarity NPD6234 Discontinued
0.6809 Remote Similarity NPD5951 Approved
0.6802 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6798 Remote Similarity NPD8361 Approved
0.6798 Remote Similarity NPD8360 Approved
0.6797 Remote Similarity NPD5735 Approved
0.6797 Remote Similarity NPD6355 Discontinued
0.6795 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6782 Remote Similarity NPD6765 Approved
0.6782 Remote Similarity NPD6764 Approved
0.6782 Remote Similarity NPD8368 Discontinued
0.6782 Remote Similarity NPD7240 Approved
0.678 Remote Similarity NPD8150 Discontinued
0.6772 Remote Similarity NPD7003 Approved
0.6765 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6759 Remote Similarity NPD7163 Clinical (unspecified phase)
0.675 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6739 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6738 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6736 Remote Similarity NPD3091 Approved
0.6735 Remote Similarity NPD1608 Approved
0.6712 Remote Similarity NPD3026 Approved
0.6712 Remote Similarity NPD3023 Approved
0.6711 Remote Similarity NPD6859 Clinical (unspecified phase)
0.671 Remote Similarity NPD7097 Phase 1
0.6709 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6707 Remote Similarity NPD7028 Phase 2
0.6706 Remote Similarity NPD7229 Phase 3
0.6704 Remote Similarity NPD8435 Approved
0.669 Remote Similarity NPD3025 Approved
0.669 Remote Similarity NPD3024 Approved
0.6687 Remote Similarity NPD7819 Suspended
0.6687 Remote Similarity NPD8455 Phase 2
0.6686 Remote Similarity NPD7685 Pre-registration
0.6667 Remote Similarity NPD8485 Approved
0.6667 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4110 Phase 3
0.6667 Remote Similarity NPD7610 Discontinued
0.6667 Remote Similarity NPD3092 Approved
0.6667 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6647 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6646 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6645 Remote Similarity NPD6353 Approved
0.6644 Remote Similarity NPD3095 Discontinued
0.6642 Remote Similarity NPD7640 Approved
0.6642 Remote Similarity NPD7639 Approved
0.6629 Remote Similarity NPD6785 Approved
0.6629 Remote Similarity NPD6784 Approved
0.6625 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6624 Remote Similarity NPD7137 Phase 2
0.6618 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6618 Remote Similarity NPD6647 Phase 2
0.6618 Remote Similarity NPD5765 Approved
0.6609 Remote Similarity NPD5844 Phase 1
0.6605 Remote Similarity NPD2532 Approved
0.6605 Remote Similarity NPD2533 Approved
0.6605 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6605 Remote Similarity NPD2534 Approved
0.66 Remote Similarity NPD3094 Phase 2
0.6579 Remote Similarity NPD7055 Discontinued
0.6577 Remote Similarity NPD5327 Phase 3
0.6569 Remote Similarity NPD5909 Discontinued
0.6567 Remote Similarity NPD7638 Approved
0.6559 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6543 Remote Similarity NPD7497 Discontinued
0.6538 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6533 Remote Similarity NPD1283 Approved
0.6531 Remote Similarity NPD1778 Approved
0.6531 Remote Similarity NPD17 Approved
0.6529 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6528 Remote Similarity NPD7115 Discovery
0.6522 Remote Similarity NPD6190 Approved
0.6517 Remote Similarity NPD8312 Approved
0.6517 Remote Similarity NPD8313 Approved
0.6513 Remote Similarity NPD2861 Phase 2
0.6507 Remote Similarity NPD9545 Approved
0.65 Remote Similarity NPD2182 Approved
0.6494 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6494 Remote Similarity NPD6798 Discontinued
0.6479 Remote Similarity NPD6912 Phase 3
0.6467 Remote Similarity NPD7411 Suspended
0.6463 Remote Similarity NPD5585 Approved
0.6458 Remote Similarity NPD4766 Approved
0.6447 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6447 Remote Similarity NPD5647 Approved
0.6447 Remote Similarity NPD4624 Approved
0.6446 Remote Similarity NPD3226 Approved
0.6437 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6433 Remote Similarity NPD6653 Approved
0.6429 Remote Similarity NPD7095 Approved
0.6429 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6416 Remote Similarity NPD3787 Discontinued
0.6416 Remote Similarity NPD7315 Approved
0.6414 Remote Similarity NPD3317 Approved
0.6412 Remote Similarity NPD7768 Phase 2
0.6412 Remote Similarity NPD4868 Clinical (unspecified phase)
0.641 Remote Similarity NPD3619 Clinical (unspecified phase)
0.641 Remote Similarity NPD3620 Phase 2
0.641 Remote Similarity NPD2979 Phase 3
0.6403 Remote Similarity NPD6008 Approved
0.64 Remote Similarity NPD7473 Discontinued
0.64 Remote Similarity NPD7507 Approved
0.6397 Remote Similarity NPD7798 Approved
0.6391 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6387 Remote Similarity NPD3268 Approved
0.6387 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6387 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6382 Remote Similarity NPD2797 Approved
0.6379 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6375 Remote Similarity NPD2346 Discontinued
0.6374 Remote Similarity NPD3749 Approved
0.6374 Remote Similarity NPD7075 Discontinued
0.637 Remote Similarity NPD4230 Clinical (unspecified phase)
0.6369 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6369 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6369 Remote Similarity NPD5124 Phase 1
0.6368 Remote Similarity NPD7680 Approved
0.6364 Remote Similarity NPD3751 Discontinued
0.6364 Remote Similarity NPD4908 Phase 1
0.6364 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6358 Remote Similarity NPD3750 Approved
0.6358 Remote Similarity NPD6959 Discontinued
0.6351 Remote Similarity NPD8515 Approved
0.6351 Remote Similarity NPD8513 Phase 3
0.6351 Remote Similarity NPD8517 Approved
0.6351 Remote Similarity NPD8516 Approved
0.6346 Remote Similarity NPD7713 Phase 3
0.6343 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6343 Remote Similarity NPD1693 Approved
0.6338 Remote Similarity NPD2067 Discontinued
0.6335 Remote Similarity NPD970 Clinical (unspecified phase)
0.6333 Remote Similarity NPD1281 Approved
0.6333 Remote Similarity NPD4807 Approved
0.6333 Remote Similarity NPD4806 Approved
0.6333 Remote Similarity NPD6287 Discontinued

Structure

External Identifiers

PubChem CID   11721361
ChEMBL   CHEMBL448031
ZINC  

Physicochemical Properties

Molecular Weight:  602.36
ALogP:  0.9427
MLogP:  4.98
XLogP:  6.167
# Rotatable Bonds:  11
Polar Surface Area:  96.22
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  8
# Heavy Atoms:  44

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Biological Activities  
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