Natural Product: NPC477209

Natural Product ID:  NPC477209
Common Name:   (1S,2S,4aR,4bS,6aS,11aS,11bR,13aR)-2,10-dihydroxy-1,4a,6a,11b-tetramethyl-1-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-3,4,4b,5,6,11,11a,12,13,13a-decahydro-2H-indeno[2,1-a]phenanthrene-7-carbaldehyde
IUPAC Name:   (1S,2S,4aR,4bS,6aS,11aS,11bR,13aR)-2,10-dihydroxy-1,4a,6a,11b-tetramethyl-1-[2-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]ethyl]-3,4,4b,5,6,11,11a,12,13,13a-decahydro-2H-indeno[2,1-a]phenanthrene-7-carbaldehyde
Synonyms:  
Molecular Formula:   C37H54O3
Standard InCHIKey:  MZOXWCYLTZVAKF-QBBIBYMZSA-N
Standard InCHI:  InChI=1S/C37H54O3/c1-23-9-8-10-24(2)33(23,3)19-20-36(6)29-13-16-35(5)28(34(29,4)18-15-31(36)40)14-17-37(7)30(35)21-26-27(39)12-11-25(22-38)32(26)37/h9,11-12,22,24,28-31,39-40H,8,10,13-21H2,1-7H3/t24-,28-,29-,30+,31+,33-,34-,35-,36+,37+/m1/s1
Canonical SMILES:  O=Cc1ccc(c2c1[C@@]1(C)CC[C@H]3[C@@]([C@@H]1C2)(C)CC[C@@H]1[C@]3(C)CC[C@@H]([C@@]1(C)CC[C@@]1(C)[C@H](C)CCC=C1C)O)O
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
NPO33502 Haliclona sp. Species Chalinidae Eukaryota Culasian Point, Leyte, Philippines (S 11°19.00', E 124°35.60') 1991-MAR PMID[22873824]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1078 Individual Protein Indoleamine 2,3-dioxygenase Homo sapiens IC50 = 29000 nM 22873824

  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 NPC477209 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
0.9433 High Similarity NPC477208
0.8865 High Similarity NPC477593
0.8824 High Similarity NPC3009
0.8794 High Similarity NPC477592
0.8777 High Similarity NPC477139
0.8777 High Similarity NPC78307
0.8768 High Similarity NPC471851
0.869 High Similarity NPC477207
0.8649 High Similarity NPC279442
0.8613 High Similarity NPC69424
0.8613 High Similarity NPC84672
0.8613 High Similarity NPC72667
0.8613 High Similarity NPC78364
0.8613 High Similarity NPC176130
0.8603 High Similarity NPC137750
0.8582 High Similarity NPC477594
0.8582 High Similarity NPC202225
0.854 High Similarity NPC254492
0.8531 High Similarity NPC475957
0.8521 High Similarity NPC477596
0.8511 High Similarity NPC475457
0.8511 High Similarity NPC475627
0.8511 High Similarity NPC475346
0.8511 High Similarity NPC18982
0.85 High Similarity NPC18798
0.8489 Intermediate Similarity NPC276238
0.8489 Intermediate Similarity NPC171460
0.8472 Intermediate Similarity NPC234548
0.8472 Intermediate Similarity NPC248287
0.8446 Intermediate Similarity NPC478160
0.8444 Intermediate Similarity NPC253627
0.8429 Intermediate Similarity NPC108129
0.8425 Intermediate Similarity NPC477595
0.8417 Intermediate Similarity NPC96024
0.8406 Intermediate Similarity NPC71610
0.8406 Intermediate Similarity NPC269598
0.8403 Intermediate Similarity NPC36868
0.8403 Intermediate Similarity NPC277559
0.8394 Intermediate Similarity NPC199273
0.8382 Intermediate Similarity NPC11250
0.8369 Intermediate Similarity NPC476847
0.8357 Intermediate Similarity NPC303910
0.8357 Intermediate Similarity NPC117899
0.8345 Intermediate Similarity NPC30491
0.8345 Intermediate Similarity NPC262936
0.8333 Intermediate Similarity NPC249817
0.8333 Intermediate Similarity NPC477483
0.8333 Intermediate Similarity NPC325032
0.8311 Intermediate Similarity NPC199936
0.8311 Intermediate Similarity NPC478164
0.8299 Intermediate Similarity NPC91019
0.8299 Intermediate Similarity NPC106519
0.8286 Intermediate Similarity NPC193203
0.8286 Intermediate Similarity NPC229894
0.8278 Intermediate Similarity NPC477206
0.8276 Intermediate Similarity NPC22676
0.8276 Intermediate Similarity NPC216940
0.8276 Intermediate Similarity NPC49911
0.8276 Intermediate Similarity NPC475482
0.8276 Intermediate Similarity NPC198621
0.8267 Intermediate Similarity NPC143685
0.8264 Intermediate Similarity NPC173569
0.8264 Intermediate Similarity NPC477874
0.8261 Intermediate Similarity NPC181334
0.8248 Intermediate Similarity NPC282577
0.8243 Intermediate Similarity NPC184935
0.8243 Intermediate Similarity NPC469520
0.8231 Intermediate Similarity NPC476534
0.8231 Intermediate Similarity NPC172311
0.8201 Intermediate Similarity NPC87985
0.82 Intermediate Similarity NPC8102
0.82 Intermediate Similarity NPC66894
0.8194 Intermediate Similarity NPC11266
0.8188 Intermediate Similarity NPC198014
0.8188 Intermediate Similarity NPC471187
0.8176 Intermediate Similarity NPC477275
0.8175 Intermediate Similarity NPC154696
0.8162 Intermediate Similarity NPC318552
0.8162 Intermediate Similarity NPC190501
0.8125 Intermediate Similarity NPC111845
0.8125 Intermediate Similarity NPC138472
0.8121 Intermediate Similarity NPC248068
0.8121 Intermediate Similarity NPC85310
0.8121 Intermediate Similarity NPC471971
0.8121 Intermediate Similarity NPC469855
0.8121 Intermediate Similarity NPC30846
0.8121 Intermediate Similarity NPC471972
0.8117 Intermediate Similarity NPC477276
0.8112 Intermediate Similarity NPC291001
0.8112 Intermediate Similarity NPC93015
0.8112 Intermediate Similarity NPC41847
0.8108 Intermediate Similarity NPC472801
0.8108 Intermediate Similarity NPC471853
0.8108 Intermediate Similarity NPC304110
0.8108 Intermediate Similarity NPC27518
0.8105 Intermediate Similarity NPC327962
0.8102 Intermediate Similarity NPC216216
0.8102 Intermediate Similarity NPC259703
0.8102 Intermediate Similarity NPC190971
0.8102 Intermediate Similarity NPC32322
0.8099 Intermediate Similarity NPC474546
0.8095 Intermediate Similarity NPC471974
0.8095 Intermediate Similarity NPC469680
0.8095 Intermediate Similarity NPC20210
0.8095 Intermediate Similarity NPC469681
0.8092 Intermediate Similarity NPC162751
0.8092 Intermediate Similarity NPC52161
0.8088 Intermediate Similarity NPC31296
0.8088 Intermediate Similarity NPC258366
0.8088 Intermediate Similarity NPC79933
0.8088 Intermediate Similarity NPC473974
0.8082 Intermediate Similarity NPC193358
0.8074 Intermediate Similarity NPC174087
0.8071 Intermediate Similarity NPC123506
0.8069 Intermediate Similarity NPC194970
0.8067 Intermediate Similarity NPC100242
0.8052 Intermediate Similarity NPC470037
0.8043 Intermediate Similarity NPC295034
0.8039 Intermediate Similarity NPC290695
0.8039 Intermediate Similarity NPC106524
0.8014 Intermediate Similarity NPC103082
0.8014 Intermediate Similarity NPC153088
0.8014 Intermediate Similarity NPC472804
0.8014 Intermediate Similarity NPC15837
0.8013 Intermediate Similarity NPC469856
0.8013 Intermediate Similarity NPC469854
0.8 Intermediate Similarity NPC49742
0.8 Intermediate Similarity NPC137496
0.8 Intermediate Similarity NPC154511
0.8 Intermediate Similarity NPC477873
0.8 Intermediate Similarity NPC257540
0.8 Intermediate Similarity NPC469447
0.8 Intermediate Similarity NPC12818
0.8 Intermediate Similarity NPC308572
0.8 Intermediate Similarity NPC474387
0.8 Intermediate Similarity NPC474358
0.8 Intermediate Similarity NPC247858
0.8 Intermediate Similarity NPC52407
0.7987 Intermediate Similarity NPC470035
0.7987 Intermediate Similarity NPC247219
0.7987 Intermediate Similarity NPC477221
0.7987 Intermediate Similarity NPC142654
0.7986 Intermediate Similarity NPC176208
0.7986 Intermediate Similarity NPC85342
0.7974 Intermediate Similarity NPC5568
0.7974 Intermediate Similarity NPC472135
0.7973 Intermediate Similarity NPC116742
0.7973 Intermediate Similarity NPC139243
0.7973 Intermediate Similarity NPC87723
0.7972 Intermediate Similarity NPC25736
0.7972 Intermediate Similarity NPC86257
0.7971 Intermediate Similarity NPC472981
0.7963 Intermediate Similarity NPC200726
0.7961 Intermediate Similarity NPC470038
0.7959 Intermediate Similarity NPC7464
0.7959 Intermediate Similarity NPC471670
0.7958 Intermediate Similarity NPC19432
0.7956 Intermediate Similarity NPC473767
0.7956 Intermediate Similarity NPC93071
0.7947 Intermediate Similarity NPC25491
0.7945 Intermediate Similarity NPC50924
0.7941 Intermediate Similarity NPC477136
0.7933 Intermediate Similarity NPC35212
0.7931 Intermediate Similarity NPC165612
0.7929 Intermediate Similarity NPC174991
0.7926 Intermediate Similarity NPC147179
0.7919 Intermediate Similarity NPC470617
0.7919 Intermediate Similarity NPC470616
0.7914 Intermediate Similarity NPC249340
0.7914 Intermediate Similarity NPC120545
0.7914 Intermediate Similarity NPC177362
0.7914 Intermediate Similarity NPC162935
0.7911 Intermediate Similarity NPC469507
0.7908 Intermediate Similarity NPC273798
0.7908 Intermediate Similarity NPC271944
0.7908 Intermediate Similarity NPC472936
0.7908 Intermediate Similarity NPC85393
0.7908 Intermediate Similarity NPC110882
0.7908 Intermediate Similarity NPC472937
0.7908 Intermediate Similarity NPC472938
0.7908 Intermediate Similarity NPC471970
0.7908 Intermediate Similarity NPC314437
0.7905 Intermediate Similarity NPC53001
0.7905 Intermediate Similarity NPC119542
0.7898 Intermediate Similarity NPC470102
0.7895 Intermediate Similarity NPC53520
0.7895 Intermediate Similarity NPC79627
0.7891 Intermediate Similarity NPC283088
0.7891 Intermediate Similarity NPC80035
0.7891 Intermediate Similarity NPC43353
0.7887 Intermediate Similarity NPC471929
0.7887 Intermediate Similarity NPC471935
0.7887 Intermediate Similarity NPC471930
0.7885 Intermediate Similarity NPC48671
0.7883 Intermediate Similarity NPC48342
0.7883 Intermediate Similarity NPC164649
0.7881 Intermediate Similarity NPC310621
0.7881 Intermediate Similarity NPC135524
0.7881 Intermediate Similarity NPC235557
0.7881 Intermediate Similarity NPC19631

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477209 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
0.8162 Intermediate Similarity NPD3019 Approved
0.8162 Intermediate Similarity NPD2932 Approved
0.7986 Intermediate Similarity NPD6663 Approved
0.7958 Intermediate Similarity NPD5736 Approved
0.7908 Intermediate Similarity NPD6273 Approved
0.7883 Intermediate Similarity NPD3091 Approved
0.7815 Intermediate Similarity NPD7003 Approved
0.7815 Intermediate Similarity NPD8166 Discontinued
0.766 Intermediate Similarity NPD3092 Approved
0.7647 Intermediate Similarity NPD7910 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD7458 Discontinued
0.7613 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD3026 Approved
0.7589 Intermediate Similarity NPD3023 Approved
0.7571 Intermediate Similarity NPD3024 Approved
0.7571 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD3025 Approved
0.755 Intermediate Similarity NPD5408 Approved
0.755 Intermediate Similarity NPD5405 Approved
0.755 Intermediate Similarity NPD5406 Approved
0.755 Intermediate Similarity NPD5404 Approved
0.7548 Intermediate Similarity NPD7390 Discontinued
0.7535 Intermediate Similarity NPD1201 Approved
0.7518 Intermediate Similarity NPD3095 Discontinued
0.7484 Intermediate Similarity NPD7236 Approved
0.7483 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD3094 Phase 2
0.7448 Intermediate Similarity NPD1470 Approved
0.7407 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD4059 Approved
0.7305 Intermediate Similarity NPD7610 Discontinued
0.7289 Intermediate Similarity NPD8127 Discontinued
0.725 Intermediate Similarity NPD7239 Suspended
0.7234 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD5951 Approved
0.7205 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD8032 Phase 2
0.7143 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7743 Approved
0.7143 Intermediate Similarity NPD7742 Approved
0.7143 Intermediate Similarity NPD1876 Approved
0.7134 Intermediate Similarity NPD5760 Phase 2
0.7134 Intermediate Similarity NPD5761 Phase 2
0.7133 Intermediate Similarity NPD7008 Discontinued
0.7105 Intermediate Similarity NPD4140 Approved
0.7091 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD6959 Discontinued
0.7063 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD3300 Phase 2
0.7034 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7819 Suspended
0.7025 Intermediate Similarity NPD4628 Phase 3
0.7007 Intermediate Similarity NPD3972 Approved
0.7006 Intermediate Similarity NPD8150 Discontinued
0.6993 Remote Similarity NPD3620 Phase 2
0.6993 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6987 Remote Similarity NPD2935 Discontinued
0.698 Remote Similarity NPD1164 Approved
0.6974 Remote Similarity NPD3764 Approved
0.6962 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5327 Phase 3
0.695 Remote Similarity NPD7635 Approved
0.6948 Remote Similarity NPD5735 Approved
0.6936 Remote Similarity NPD5844 Phase 1
0.6933 Remote Similarity NPD4624 Approved
0.6928 Remote Similarity NPD7961 Discontinued
0.6927 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6913 Remote Similarity NPD1283 Approved
0.6908 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6906 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6353 Approved
0.6875 Remote Similarity NPD8131 Suspended
0.6871 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6851 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7028 Phase 2
0.6848 Remote Similarity NPD4380 Phase 2
0.6845 Remote Similarity NPD7057 Phase 3
0.6845 Remote Similarity NPD7768 Phase 2
0.6845 Remote Similarity NPD7058 Phase 2
0.6836 Remote Similarity NPD8313 Approved
0.6836 Remote Similarity NPD8312 Approved
0.6835 Remote Similarity NPD2342 Discontinued
0.6821 Remote Similarity NPD7473 Discontinued
0.6809 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6803 Remote Similarity NPD4626 Approved
0.6783 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6781 Remote Similarity NPD9545 Approved
0.6781 Remote Similarity NPD7009 Phase 2
0.6779 Remote Similarity NPD4878 Approved
0.6776 Remote Similarity NPD9494 Approved
0.6774 Remote Similarity NPD943 Approved
0.6772 Remote Similarity NPD6100 Approved
0.6772 Remote Similarity NPD6099 Approved
0.6763 Remote Similarity NPD7852 Clinical (unspecified phase)
0.675 Remote Similarity NPD3638 Discontinued
0.6748 Remote Similarity NPD2532 Approved
0.6748 Remote Similarity NPD2534 Approved
0.6748 Remote Similarity NPD2533 Approved
0.6744 Remote Similarity NPD6232 Discontinued
0.6735 Remote Similarity NPD1651 Approved
0.673 Remote Similarity NPD2344 Approved
0.673 Remote Similarity NPD2346 Discontinued
0.673 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6726 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6723 Remote Similarity NPD6765 Approved
0.6723 Remote Similarity NPD6764 Approved
0.6722 Remote Similarity NPD8434 Phase 2
0.6714 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6713 Remote Similarity NPD7094 Approved
0.6713 Remote Similarity NPD6858 Approved
0.6711 Remote Similarity NPD1281 Approved
0.6711 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6711 Remote Similarity NPD2798 Approved
0.6709 Remote Similarity NPD2799 Discontinued
0.6709 Remote Similarity NPD1510 Phase 2
0.6708 Remote Similarity NPD3750 Approved
0.6708 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6691 Remote Similarity NPD3020 Approved
0.6688 Remote Similarity NPD4097 Suspended
0.6688 Remote Similarity NPD1607 Approved
0.6687 Remote Similarity NPD970 Clinical (unspecified phase)
0.6687 Remote Similarity NPD3226 Approved
0.6686 Remote Similarity NPD7799 Discontinued
0.6686 Remote Similarity NPD7177 Discontinued
0.6667 Remote Similarity NPD7741 Discontinued
0.6667 Remote Similarity NPD1240 Approved
0.6667 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6646 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6629 Remote Similarity NPD7685 Pre-registration
0.6625 Remote Similarity NPD5763 Approved
0.6625 Remote Similarity NPD5762 Approved
0.6624 Remote Similarity NPD6355 Discontinued
0.6623 Remote Similarity NPD1755 Approved
0.6623 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6622 Remote Similarity NPD5691 Approved
0.6621 Remote Similarity NPD2629 Approved
0.6619 Remote Similarity NPD1237 Approved
0.6608 Remote Similarity NPD7075 Discontinued
0.6607 Remote Similarity NPD7411 Suspended
0.6604 Remote Similarity NPD651 Clinical (unspecified phase)
0.66 Remote Similarity NPD5351 Clinical (unspecified phase)
0.66 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6593 Remote Similarity NPD1809 Phase 2
0.6588 Remote Similarity NPD5616 Clinical (unspecified phase)
0.6584 Remote Similarity NPD1549 Phase 2
0.6582 Remote Similarity NPD6651 Approved
0.6578 Remote Similarity NPD7699 Phase 2
0.6578 Remote Similarity NPD7700 Phase 2
0.6575 Remote Similarity NPD6784 Approved
0.6575 Remote Similarity NPD6785 Approved
0.6571 Remote Similarity NPD6166 Phase 2
0.6571 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6571 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6564 Remote Similarity NPD2309 Approved
0.6562 Remote Similarity NPD2796 Approved
0.6561 Remote Similarity NPD2979 Phase 3
0.6561 Remote Similarity NPD4060 Phase 1
0.6558 Remote Similarity NPD4208 Discontinued
0.6558 Remote Similarity NPD2861 Phase 2
0.6554 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6552 Remote Similarity NPD7159 Clinical (unspecified phase)
0.655 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6545 Remote Similarity NPD8319 Approved
0.6545 Remote Similarity NPD8320 Phase 1
0.6544 Remote Similarity NPD288 Approved
0.6536 Remote Similarity NPD6559 Discontinued
0.6532 Remote Similarity NPD5494 Approved
0.6531 Remote Similarity NPD9493 Approved
0.6529 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6528 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6522 Remote Similarity NPD289 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6522 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6519 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6516 Remote Similarity NPD2605 Approved
0.6516 Remote Similarity NPD2606 Approved
0.6514 Remote Similarity NPD8051 Clinical (unspecified phase)
0.651 Remote Similarity NPD4093 Discontinued
0.6505 Remote Similarity NPD6534 Approved
0.6505 Remote Similarity NPD6535 Approved
0.6503 Remote Similarity NPD4110 Phase 3
0.6503 Remote Similarity NPD4750 Phase 3
0.6503 Remote Similarity NPD3022 Approved
0.6503 Remote Similarity NPD3021 Approved
0.6503 Remote Similarity NPD4109 Clinical (unspecified phase)
0.65 Remote Similarity NPD5034 Approved
0.65 Remote Similarity NPD4954 Approved
0.65 Remote Similarity NPD4955 Approved
0.65 Remote Similarity NPD5026 Approved
0.65 Remote Similarity NPD5028 Approved
0.65 Remote Similarity NPD36 Approved
0.6494 Remote Similarity NPD7199 Phase 2
0.6494 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6492 Remote Similarity NPD7696 Phase 3
0.6492 Remote Similarity NPD7698 Approved
0.6492 Remote Similarity NPD7697 Approved
0.6492 Remote Similarity NPD7497 Discontinued
0.6491 Remote Similarity NPD5978 Approved

Structure

External Identifiers

PubChem CID   66553580
ChEMBL   CHEMBL2087617
ZINC  

Physicochemical Properties

Molecular Weight:  546.41
ALogP:  2.2201
MLogP:  5.2
XLogP:  12.059
# Rotatable Bonds:  13
Polar Surface Area:  57.53
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  40

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs