Natural Product: NPC131078

Natural Product ID:  NPC131078
Common Name:   Napyradiomycin B4
IUPAC Name:   (3R,4aR,10aS)-3,4a-dichloro-10a-[[(1S,3S,6S)-3-chloro-6-hydroxy-2,2,6-trimethylcyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
Synonyms:  
Molecular Formula:   C25H31Cl3O6
Standard InCHIKey:  WIMMWIAJQXLZLL-VTQDYBALSA-N
Standard InCHI:  InChI=1S/C25H31Cl3O6/c1-21(2)15(23(5,33)7-6-16(21)26)10-25-19(31)13-8-12(29)9-14(30)18(13)20(32)24(25,28)11-17(27)22(3,4)34-25/h8-9,15-17,29-30,33H,6-7,10-11H2,1-5H3/t15-,16-,17+,23-,24-,25-/m0/s1
Canonical SMILES:  Oc1cc(O)c2c(c1)C(=O)[C@]1([C@](C2=O)(Cl)C[C@H](C(O1)(C)C)Cl)C[C@@H]1[C@@](C)(O)CC[C@@H](C1(C)C)Cl
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
NPO20334.3 Streptomyces aculeolatus nrrl 18422 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO20334 Streptomyces aculeolatus Species Streptomycetaceae Bacteria StreptomeDB*
NPO31887 Streptomyces cnq-525 Species Streptomycetaceae Bacteria StreptomeDB*
NPO2873.1 Streptomyces antimycoticus nt17 Subspecies Streptomycetaceae Bacteria StreptomeDB*
NPO32026 Streptomyces cnh-070 Species Streptomycetaceae Bacteria StreptomeDB*
NPO32325 Streptomyces cnq-329 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 10000 nM 24328269

  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 NPC131078 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
0.9748 High Similarity NPC108948
0.9747 High Similarity NPC311679
0.9623 High Similarity NPC301846
0.939 High Similarity NPC158699
0.9383 High Similarity NPC184518
0.9317 High Similarity NPC73544
0.9157 High Similarity NPC471684
0.8848 High Similarity NPC471685
0.8663 High Similarity NPC471686
0.8235 Intermediate Similarity NPC471687
0.8204 Intermediate Similarity NPC470564
0.8063 Intermediate Similarity NPC169452
0.8063 Intermediate Similarity NPC181560
0.8023 Intermediate Similarity NPC470563
0.8 Intermediate Similarity NPC138099
0.8 Intermediate Similarity NPC470559
0.8 Intermediate Similarity NPC242994
0.7987 Intermediate Similarity NPC471905
0.7975 Intermediate Similarity NPC471906
0.7965 Intermediate Similarity NPC475106
0.7965 Intermediate Similarity NPC470561
0.7963 Intermediate Similarity NPC193555
0.7925 Intermediate Similarity NPC254847
0.7911 Intermediate Similarity NPC44437
0.7901 Intermediate Similarity NPC246638
0.7898 Intermediate Similarity NPC474004
0.7898 Intermediate Similarity NPC470565
0.7898 Intermediate Similarity NPC277865
0.7892 Intermediate Similarity NPC94781
0.7888 Intermediate Similarity NPC143438
0.7879 Intermediate Similarity NPC470570
0.7875 Intermediate Similarity NPC53206
0.7875 Intermediate Similarity NPC53414
0.7874 Intermediate Similarity NPC316262
0.7874 Intermediate Similarity NPC314653
0.7865 Intermediate Similarity NPC264922
0.7857 Intermediate Similarity NPC305965
0.7853 Intermediate Similarity NPC308572
0.7853 Intermediate Similarity NPC135524
0.7844 Intermediate Similarity NPC120171
0.7841 Intermediate Similarity NPC286074
0.7841 Intermediate Similarity NPC54903
0.7836 Intermediate Similarity NPC272196
0.7836 Intermediate Similarity NPC197326
0.7836 Intermediate Similarity NPC201127
0.7831 Intermediate Similarity NPC37709
0.7818 Intermediate Similarity NPC34482
0.7812 Intermediate Similarity NPC191976
0.7803 Intermediate Similarity NPC61382
0.7803 Intermediate Similarity NPC103816
0.7799 Intermediate Similarity NPC166480
0.7799 Intermediate Similarity NPC282780
0.7797 Intermediate Similarity NPC470562
0.7791 Intermediate Similarity NPC204045
0.7791 Intermediate Similarity NPC305845
0.7791 Intermediate Similarity NPC110810
0.7778 Intermediate Similarity NPC103337
0.7778 Intermediate Similarity NPC114620
0.7778 Intermediate Similarity NPC280497
0.7778 Intermediate Similarity NPC190457
0.7771 Intermediate Similarity NPC472049
0.7758 Intermediate Similarity NPC48762
0.7758 Intermediate Similarity NPC21599
0.7758 Intermediate Similarity NPC19896
0.7758 Intermediate Similarity NPC244691
0.7758 Intermediate Similarity NPC193703
0.7753 Intermediate Similarity NPC474857
0.7753 Intermediate Similarity NPC470560
0.7746 Intermediate Similarity NPC472618
0.7746 Intermediate Similarity NPC313368
0.7744 Intermediate Similarity NPC474961
0.7738 Intermediate Similarity NPC44378
0.7738 Intermediate Similarity NPC280753
0.7736 Intermediate Similarity NPC267205
0.7733 Intermediate Similarity NPC474637
0.7733 Intermediate Similarity NPC472404
0.773 Intermediate Similarity NPC156872
0.7727 Intermediate Similarity NPC125465
0.7727 Intermediate Similarity NPC17274
0.7727 Intermediate Similarity NPC120857
0.7727 Intermediate Similarity NPC85047
0.7725 Intermediate Similarity NPC190648
0.7725 Intermediate Similarity NPC289042
0.7725 Intermediate Similarity NPC118027
0.7725 Intermediate Similarity NPC312929
0.7725 Intermediate Similarity NPC126767
0.7725 Intermediate Similarity NPC56433
0.7725 Intermediate Similarity NPC245584
0.7719 Intermediate Similarity NPC314257
0.7714 Intermediate Similarity NPC100849
0.7711 Intermediate Similarity NPC12402
0.7711 Intermediate Similarity NPC470673
0.7711 Intermediate Similarity NPC474630
0.7711 Intermediate Similarity NPC117716
0.7711 Intermediate Similarity NPC470674
0.7709 Intermediate Similarity NPC469393
0.7709 Intermediate Similarity NPC470422
0.7706 Intermediate Similarity NPC113608
0.7706 Intermediate Similarity NPC470340
0.7706 Intermediate Similarity NPC470337
0.7706 Intermediate Similarity NPC154683
0.7706 Intermediate Similarity NPC180944
0.7706 Intermediate Similarity NPC268992
0.7706 Intermediate Similarity NPC51824
0.7706 Intermediate Similarity NPC470338
0.7706 Intermediate Similarity NPC40356
0.7701 Intermediate Similarity NPC476929
0.7697 Intermediate Similarity NPC474203
0.7697 Intermediate Similarity NPC313047
0.7697 Intermediate Similarity NPC451542
0.7697 Intermediate Similarity NPC295712
0.7697 Intermediate Similarity NPC174905
0.7697 Intermediate Similarity NPC315306
0.7697 Intermediate Similarity NPC313717
0.7697 Intermediate Similarity NPC293545
0.7692 Intermediate Similarity NPC151292
0.7692 Intermediate Similarity NPC294646
0.7692 Intermediate Similarity NPC470568
0.7692 Intermediate Similarity NPC147735
0.7688 Intermediate Similarity NPC472617
0.7684 Intermediate Similarity NPC476306
0.7683 Intermediate Similarity NPC290550
0.7679 Intermediate Similarity NPC142846
0.7674 Intermediate Similarity NPC4547
0.7673 Intermediate Similarity NPC175738
0.7665 Intermediate Similarity NPC136878
0.7665 Intermediate Similarity NPC473132
0.7665 Intermediate Similarity NPC473135
0.7665 Intermediate Similarity NPC202112
0.7665 Intermediate Similarity NPC51513
0.7665 Intermediate Similarity NPC470676
0.7663 Intermediate Similarity NPC191606
0.7661 Intermediate Similarity NPC472211
0.7661 Intermediate Similarity NPC182921
0.7661 Intermediate Similarity NPC474824
0.7661 Intermediate Similarity NPC218870
0.7661 Intermediate Similarity NPC280530
0.7661 Intermediate Similarity NPC95842
0.7661 Intermediate Similarity NPC178964
0.7661 Intermediate Similarity NPC214632
0.7661 Intermediate Similarity NPC470408
0.7658 Intermediate Similarity NPC108129
0.7657 Intermediate Similarity NPC245122
0.7654 Intermediate Similarity NPC53001
0.7654 Intermediate Similarity NPC118128
0.7651 Intermediate Similarity NPC227841
0.7647 Intermediate Similarity NPC470569
0.7647 Intermediate Similarity NPC205918
0.7644 Intermediate Similarity NPC43490
0.7644 Intermediate Similarity NPC475107
0.7643 Intermediate Similarity NPC179898
0.764 Intermediate Similarity NPC20734
0.7636 Intermediate Similarity NPC137649
0.7636 Intermediate Similarity NPC291078
0.7633 Intermediate Similarity NPC329933
0.7633 Intermediate Similarity NPC474310
0.7633 Intermediate Similarity NPC65775
0.7633 Intermediate Similarity NPC84142
0.7633 Intermediate Similarity NPC10027
0.7627 Intermediate Similarity NPC474061
0.7627 Intermediate Similarity NPC476056
0.7625 Intermediate Similarity NPC171968
0.7622 Intermediate Similarity NPC203063
0.7619 Intermediate Similarity NPC5568
0.7619 Intermediate Similarity NPC34802
0.7619 Intermediate Similarity NPC259632
0.7619 Intermediate Similarity NPC472135
0.7616 Intermediate Similarity NPC68727
0.7616 Intermediate Similarity NPC478221
0.7616 Intermediate Similarity NPC226656
0.7616 Intermediate Similarity NPC66508
0.7614 Intermediate Similarity NPC469395
0.7607 Intermediate Similarity NPC13715
0.7607 Intermediate Similarity NPC87723
0.7605 Intermediate Similarity NPC28632
0.7602 Intermediate Similarity NPC470353
0.7602 Intermediate Similarity NPC142527
0.76 Intermediate Similarity NPC219686
0.76 Intermediate Similarity NPC472405
0.76 Intermediate Similarity NPC472906
0.7598 Intermediate Similarity NPC193698
0.7595 Intermediate Similarity NPC303910
0.7595 Intermediate Similarity NPC92624
0.7593 Intermediate Similarity NPC474311
0.759 Intermediate Similarity NPC471682
0.759 Intermediate Similarity NPC354984
0.759 Intermediate Similarity NPC100242
0.759 Intermediate Similarity NPC238629
0.7588 Intermediate Similarity NPC164762
0.7588 Intermediate Similarity NPC315520
0.7588 Intermediate Similarity NPC225854
0.7588 Intermediate Similarity NPC48949
0.7588 Intermediate Similarity NPC227122
0.7588 Intermediate Similarity NPC205766
0.7588 Intermediate Similarity NPC255641
0.7588 Intermediate Similarity NPC290954
0.7586 Intermediate Similarity NPC324736
0.7586 Intermediate Similarity NPC470339
0.7584 Intermediate Similarity NPC193222
0.7578 Intermediate Similarity NPC12070

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC131078 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
0.7925 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD7390 Discontinued
0.7342 Intermediate Similarity NPD1470 Approved
0.7303 Intermediate Similarity NPD6959 Discontinued
0.7294 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD7473 Discontinued
0.7193 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD6232 Discontinued
0.7159 Intermediate Similarity NPD7819 Suspended
0.7143 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD3749 Approved
0.7134 Intermediate Similarity NPD943 Approved
0.7126 Intermediate Similarity NPD6099 Approved
0.7126 Intermediate Similarity NPD5405 Approved
0.7126 Intermediate Similarity NPD5406 Approved
0.7126 Intermediate Similarity NPD5404 Approved
0.7126 Intermediate Similarity NPD6100 Approved
0.7126 Intermediate Similarity NPD5408 Approved
0.7119 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD2533 Approved
0.7093 Intermediate Similarity NPD2532 Approved
0.7093 Intermediate Similarity NPD2534 Approved
0.7089 Intermediate Similarity NPD1201 Approved
0.7088 Intermediate Similarity NPD2403 Approved
0.7086 Intermediate Similarity NPD4380 Phase 2
0.7068 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD7075 Discontinued
0.7 Intermediate Similarity NPD2800 Approved
0.6995 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6995 Remote Similarity NPD6166 Phase 2
0.6995 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6599 Discontinued
0.6984 Remote Similarity NPD6785 Approved
0.6984 Remote Similarity NPD6784 Approved
0.6983 Remote Similarity NPD3882 Suspended
0.6977 Remote Similarity NPD3300 Phase 2
0.6966 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6964 Remote Similarity NPD1510 Phase 2
0.6959 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6954 Remote Similarity NPD1512 Approved
0.6949 Remote Similarity NPD7411 Suspended
0.6947 Remote Similarity NPD8150 Discontinued
0.6946 Remote Similarity NPD1607 Approved
0.6941 Remote Similarity NPD1549 Phase 2
0.6932 Remote Similarity NPD3226 Approved
0.6928 Remote Similarity NPD1240 Approved
0.691 Remote Similarity NPD1934 Approved
0.6897 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6882 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6882 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6872 Remote Similarity NPD2801 Approved
0.6868 Remote Similarity NPD5494 Approved
0.6864 Remote Similarity NPD3299 Clinical (unspecified phase)
0.686 Remote Similarity NPD3750 Approved
0.6839 Remote Similarity NPD1511 Approved
0.6821 Remote Similarity NPD6534 Approved
0.6821 Remote Similarity NPD6535 Approved
0.6811 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6796 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6791 Remote Similarity NPD5844 Phase 1
0.6791 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6766 Remote Similarity NPD8320 Phase 1
0.6766 Remote Similarity NPD8319 Approved
0.6758 Remote Similarity NPD4381 Clinical (unspecified phase)
0.675 Remote Similarity NPD3019 Approved
0.6746 Remote Similarity NPD6651 Approved
0.6743 Remote Similarity NPD6799 Approved
0.674 Remote Similarity NPD3817 Phase 2
0.6738 Remote Similarity NPD3751 Discontinued
0.6735 Remote Similarity NPD4360 Phase 2
0.6735 Remote Similarity NPD4363 Phase 3
0.6734 Remote Similarity NPD6777 Approved
0.6734 Remote Similarity NPD6778 Approved
0.6734 Remote Similarity NPD6779 Approved
0.6734 Remote Similarity NPD6776 Approved
0.6734 Remote Similarity NPD6780 Approved
0.6734 Remote Similarity NPD6782 Approved
0.6734 Remote Similarity NPD6781 Approved
0.6725 Remote Similarity NPD2796 Approved
0.6722 Remote Similarity NPD6801 Discontinued
0.672 Remote Similarity NPD6797 Phase 2
0.6717 Remote Similarity NPD7700 Phase 2
0.6717 Remote Similarity NPD7699 Phase 2
0.6716 Remote Similarity NPD7435 Discontinued
0.6709 Remote Similarity NPD405 Clinical (unspecified phase)
0.6707 Remote Similarity NPD3764 Approved
0.6703 Remote Similarity NPD5710 Approved
0.6703 Remote Similarity NPD7768 Phase 2
0.6703 Remote Similarity NPD5711 Approved
0.6686 Remote Similarity NPD2346 Discontinued
0.6685 Remote Similarity NPD1465 Phase 2
0.6684 Remote Similarity NPD7251 Discontinued
0.6649 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7808 Phase 3
0.6648 Remote Similarity NPD5402 Approved
0.6646 Remote Similarity NPD2932 Approved
0.6634 Remote Similarity NPD7698 Approved
0.6634 Remote Similarity NPD7696 Phase 3
0.6634 Remote Similarity NPD7697 Approved
0.6632 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6628 Remote Similarity NPD2935 Discontinued
0.6601 Remote Similarity NPD7871 Phase 2
0.6601 Remote Similarity NPD7870 Phase 2
0.6588 Remote Similarity NPD230 Phase 1
0.6584 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7074 Phase 3
0.657 Remote Similarity NPD3748 Approved
0.6561 Remote Similarity NPD3818 Discontinued
0.6546 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6534 Remote Similarity NPD6190 Approved
0.6526 Remote Similarity NPD7054 Approved
0.6524 Remote Similarity NPD3787 Discontinued
0.6524 Remote Similarity NPD4878 Approved
0.6522 Remote Similarity NPD7874 Approved
0.6522 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6513 Remote Similarity NPD8434 Phase 2
0.651 Remote Similarity NPD6559 Discontinued
0.6505 Remote Similarity NPD7701 Phase 2
0.6497 Remote Similarity NPD7236 Approved
0.6494 Remote Similarity NPD1471 Phase 3
0.6494 Remote Similarity NPD2344 Approved
0.6492 Remote Similarity NPD7472 Approved
0.649 Remote Similarity NPD7801 Approved
0.6489 Remote Similarity NPD3926 Phase 2
0.6488 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6485 Remote Similarity NPD4914 Approved
0.6477 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6477 Remote Similarity NPD8166 Discontinued
0.6477 Remote Similarity NPD7003 Approved
0.6474 Remote Similarity NPD2799 Discontinued
0.6473 Remote Similarity NPD8151 Discontinued
0.6468 Remote Similarity NPD4974 Approved
0.6468 Remote Similarity NPD4975 Approved
0.645 Remote Similarity NPD4361 Phase 2
0.645 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5403 Approved
0.6443 Remote Similarity NPD8312 Approved
0.6443 Remote Similarity NPD8313 Approved
0.644 Remote Similarity NPD6020 Phase 2
0.6436 Remote Similarity NPD5544 Approved
0.6425 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6424 Remote Similarity NPD9269 Phase 2
0.642 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6413 Remote Similarity NPD5760 Phase 2
0.6413 Remote Similarity NPD5761 Phase 2
0.6407 Remote Similarity NPD1164 Approved
0.6402 Remote Similarity NPD4879 Approved
0.6402 Remote Similarity NPD3023 Approved
0.6402 Remote Similarity NPD3026 Approved
0.6383 Remote Similarity NPD1247 Approved
0.638 Remote Similarity NPD3024 Approved
0.638 Remote Similarity NPD9268 Approved
0.638 Remote Similarity NPD3025 Approved
0.6374 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6374 Remote Similarity NPD7458 Discontinued
0.6374 Remote Similarity NPD6663 Approved
0.6373 Remote Similarity NPD5953 Discontinued
0.6364 Remote Similarity NPD6234 Discontinued
0.6364 Remote Similarity NPD4287 Approved
0.6364 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6359 Remote Similarity NPD37 Approved
0.6353 Remote Similarity NPD4625 Phase 3
0.635 Remote Similarity NPD6212 Phase 3
0.635 Remote Similarity NPD6214 Clinical (unspecified phase)
0.635 Remote Similarity NPD6213 Phase 3
0.6348 Remote Similarity NPD2309 Approved
0.6348 Remote Similarity NPD2354 Approved
0.6344 Remote Similarity NPD4965 Approved
0.6344 Remote Similarity NPD4966 Approved
0.6344 Remote Similarity NPD4967 Phase 2
0.6343 Remote Similarity NPD1551 Phase 2
0.6341 Remote Similarity NPD4387 Approved
0.6341 Remote Similarity NPD4386 Approved
0.634 Remote Similarity NPD5029 Approved
0.634 Remote Similarity NPD5031 Approved
0.634 Remote Similarity NPD5027 Approved
0.6337 Remote Similarity NPD4915 Approved
0.6333 Remote Similarity NPD5401 Approved
0.6331 Remote Similarity NPD5736 Approved
0.6328 Remote Similarity NPD1243 Approved
0.6319 Remote Similarity NPD7239 Suspended
0.6319 Remote Similarity NPD2370 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6308 Remote Similarity NPD4955 Approved
0.6308 Remote Similarity NPD4954 Approved
0.6308 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6308 Remote Similarity NPD5034 Approved
0.6308 Remote Similarity NPD36 Approved
0.6308 Remote Similarity NPD5028 Approved
0.6308 Remote Similarity NPD5026 Approved
0.6302 Remote Similarity NPD7228 Approved
0.6298 Remote Similarity NPD6273 Approved
0.6294 Remote Similarity NPD4908 Phase 1
0.6292 Remote Similarity NPD4628 Phase 3
0.6287 Remote Similarity NPD4749 Approved
0.6277 Remote Similarity NPD919 Approved

Structure

External Identifiers

PubChem CID   194892
ChEMBL   CHEMBL3104875
ZINC  

Physicochemical Properties

Molecular Weight:  532.12
ALogP:  1.4139
MLogP:  3.22
XLogP:  3.015
# Rotatable Bonds:  13
Polar Surface Area:  104.06
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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