Natural Product: NPC477675

Natural Product ID:  NPC477675
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H32O7
Standard InCHIKey:  GBKCPBPYMRGRKL-JSGMTKEVSA-N
Standard InCHI:  InChI=1S/C25H32O7/c1-12-14-11-30-22(28)18(14)20(29-6)13-9-16-24(4)8-7-17(27)31-23(2,3)21(24)15(26)10-25(16,5)32-19(12)13/h15-16,21,26H,7-11H2,1-6H3/t15-,16-,21+,24-,25+/m1/s1
Canonical SMILES:  COc1c2C[C@H]3[C@](Oc2c(c2c1C(=O)OC2)C)(C)C[C@H]([C@@H]1[C@]3(C)CCC(=O)OC1(C)C)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
NPO33623 Penicillium lividum Species Aspergillaceae Eukaryota isolated from superficial mycobiota of the brown alga Sargassum miyabei (Lazurnaya Bay, the Sea of Japan) PMID[24852445]
NPO29375 Penicillium thomii Species Aspergillaceae Eukaryota isolated from superficial mycobiota of the brown alga Sargassum miyabei (Lazurnaya Bay, the Sea of Japan) PMID[24852445]
NPO29375 Penicillium thomii Species Aspergillaceae Eukaryota Lazurnaya Bay, the Sea of Japan PMID[24852445]
NPO33623 Penicillium lividum Species Aspergillaceae Eukaryota Lazurnaya Bay, the Sea of Japan PMID[24852445]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 < 10000 nM 24852445
NPT2 Others Unspecified IC50 < 10000 nM 24852445
NPT2 Others Unspecified Inhibition = 27.6 % 24852445
NPT2 Others Unspecified IC50 = 2000 nM 24852445

  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 NPC477675 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
0.9799 High Similarity NPC477687
0.9799 High Similarity NPC477671
0.9733 High Similarity NPC477674
0.973 High Similarity NPC477673
0.973 High Similarity NPC477672
0.9662 High Similarity NPC477676
0.96 High Similarity NPC477669
0.9068 High Similarity NPC477670
0.8889 High Similarity NPC470359
0.8882 High Similarity NPC470357
0.8861 High Similarity NPC239118
0.8861 High Similarity NPC4950
0.8824 High Similarity NPC8817
0.8765 High Similarity NPC125465
0.8758 High Similarity NPC100849
0.8742 High Similarity NPC218818
0.8726 High Similarity NPC472799
0.8693 High Similarity NPC75694
0.8679 High Similarity NPC158542
0.865 High Similarity NPC472621
0.8625 High Similarity NPC472617
0.8616 High Similarity NPC4547
0.8599 High Similarity NPC470675
0.8599 High Similarity NPC473131
0.8598 High Similarity NPC472622
0.8589 High Similarity NPC314653
0.8589 High Similarity NPC316262
0.8581 High Similarity NPC137296
0.8581 High Similarity NPC245757
0.8581 High Similarity NPC304351
0.858 High Similarity NPC473022
0.8563 High Similarity NPC294149
0.8554 High Similarity NPC472620
0.8544 High Similarity NPC217447
0.8544 High Similarity NPC271681
0.8544 High Similarity NPC273483
0.8535 High Similarity NPC150928
0.8526 High Similarity NPC472345
0.8512 High Similarity NPC324220
0.8512 High Similarity NPC472661
0.8512 High Similarity NPC312630
0.8494 Intermediate Similarity NPC313717
0.8494 Intermediate Similarity NPC315306
0.8494 Intermediate Similarity NPC477571
0.8494 Intermediate Similarity NPC477572
0.8494 Intermediate Similarity NPC477573
0.8476 Intermediate Similarity NPC102372
0.8476 Intermediate Similarity NPC146584
0.8476 Intermediate Similarity NPC21016
0.8467 Intermediate Similarity NPC472599
0.8467 Intermediate Similarity NPC156967
0.8462 Intermediate Similarity NPC474108
0.8462 Intermediate Similarity NPC177995
0.8457 Intermediate Similarity NPC470810
0.8457 Intermediate Similarity NPC472618
0.8457 Intermediate Similarity NPC470358
0.8447 Intermediate Similarity NPC196448
0.8447 Intermediate Similarity NPC272196
0.8442 Intermediate Similarity NPC472344
0.8434 Intermediate Similarity NPC472619
0.8434 Intermediate Similarity NPC213416
0.8434 Intermediate Similarity NPC102810
0.8434 Intermediate Similarity NPC473202
0.8431 Intermediate Similarity NPC469818
0.8428 Intermediate Similarity NPC87708
0.8421 Intermediate Similarity NPC475656
0.8421 Intermediate Similarity NPC475148
0.8418 Intermediate Similarity NPC119929
0.8418 Intermediate Similarity NPC179178
0.8418 Intermediate Similarity NPC202595
0.8415 Intermediate Similarity NPC208120
0.8415 Intermediate Similarity NPC173587
0.8412 Intermediate Similarity NPC473607
0.8412 Intermediate Similarity NPC473729
0.8411 Intermediate Similarity NPC245058
0.8405 Intermediate Similarity NPC117985
0.8397 Intermediate Similarity NPC286038
0.8395 Intermediate Similarity NPC470339
0.8395 Intermediate Similarity NPC474373
0.8393 Intermediate Similarity NPC476311
0.8385 Intermediate Similarity NPC146211
0.8383 Intermediate Similarity NPC17219
0.8377 Intermediate Similarity NPC469579
0.8373 Intermediate Similarity NPC232936
0.8365 Intermediate Similarity NPC72958
0.8365 Intermediate Similarity NPC478148
0.8365 Intermediate Similarity NPC232645
0.8354 Intermediate Similarity NPC291049
0.8354 Intermediate Similarity NPC233267
0.8344 Intermediate Similarity NPC313368
0.8344 Intermediate Similarity NPC66991
0.8344 Intermediate Similarity NPC472055
0.8333 Intermediate Similarity NPC288910
0.8333 Intermediate Similarity NPC133060
0.8333 Intermediate Similarity NPC118059
0.8333 Intermediate Similarity NPC470554
0.8333 Intermediate Similarity NPC470674
0.8333 Intermediate Similarity NPC470673
0.8333 Intermediate Similarity NPC117716
0.8313 Intermediate Similarity NPC473770
0.8313 Intermediate Similarity NPC475131
0.8313 Intermediate Similarity NPC167903
0.8313 Intermediate Similarity NPC473509
0.8313 Intermediate Similarity NPC472452
0.8303 Intermediate Similarity NPC29055
0.8303 Intermediate Similarity NPC475055
0.8303 Intermediate Similarity NPC478044
0.8302 Intermediate Similarity NPC158866
0.8302 Intermediate Similarity NPC470908
0.8291 Intermediate Similarity NPC211625
0.8291 Intermediate Similarity NPC37139
0.8291 Intermediate Similarity NPC105415
0.8289 Intermediate Similarity NPC470983
0.8289 Intermediate Similarity NPC470982
0.8282 Intermediate Similarity NPC186113
0.8282 Intermediate Similarity NPC472299
0.8282 Intermediate Similarity NPC478042
0.828 Intermediate Similarity NPC470910
0.8272 Intermediate Similarity NPC164427
0.8269 Intermediate Similarity NPC112749
0.8269 Intermediate Similarity NPC470909
0.8269 Intermediate Similarity NPC33653
0.8269 Intermediate Similarity NPC184738
0.8269 Intermediate Similarity NPC470553
0.8269 Intermediate Similarity NPC474939
0.8269 Intermediate Similarity NPC470932
0.8269 Intermediate Similarity NPC307895
0.8269 Intermediate Similarity NPC96216
0.8266 Intermediate Similarity NPC472663
0.8266 Intermediate Similarity NPC472662
0.8263 Intermediate Similarity NPC225419
0.8261 Intermediate Similarity NPC210942
0.8261 Intermediate Similarity NPC169990
0.8261 Intermediate Similarity NPC135522
0.8258 Intermediate Similarity NPC285659
0.8258 Intermediate Similarity NPC157497
0.8258 Intermediate Similarity NPC81337
0.8258 Intermediate Similarity NPC111201
0.8253 Intermediate Similarity NPC473286
0.8253 Intermediate Similarity NPC112981
0.825 Intermediate Similarity NPC149526
0.825 Intermediate Similarity NPC474417
0.825 Intermediate Similarity NPC133856
0.825 Intermediate Similarity NPC290671
0.825 Intermediate Similarity NPC48671
0.8246 Intermediate Similarity NPC476199
0.8246 Intermediate Similarity NPC233978
0.8246 Intermediate Similarity NPC476210
0.8242 Intermediate Similarity NPC475106
0.8242 Intermediate Similarity NPC473961
0.8242 Intermediate Similarity NPC472402
0.8239 Intermediate Similarity NPC471114
0.8239 Intermediate Similarity NPC270160
0.8239 Intermediate Similarity NPC237440
0.8235 Intermediate Similarity NPC162248
0.8235 Intermediate Similarity NPC289147
0.8232 Intermediate Similarity NPC143050
0.8228 Intermediate Similarity NPC285748
0.8228 Intermediate Similarity NPC125801
0.8225 Intermediate Similarity NPC118128
0.8221 Intermediate Similarity NPC282390
0.8221 Intermediate Similarity NPC123153
0.8221 Intermediate Similarity NPC281137
0.8217 Intermediate Similarity NPC206212
0.8217 Intermediate Similarity NPC71184
0.8214 Intermediate Similarity NPC191653
0.821 Intermediate Similarity NPC175192
0.821 Intermediate Similarity NPC89625
0.821 Intermediate Similarity NPC149618
0.8205 Intermediate Similarity NPC159721
0.8205 Intermediate Similarity NPC294432
0.8205 Intermediate Similarity NPC469542
0.8205 Intermediate Similarity NPC470556
0.8205 Intermediate Similarity NPC471731
0.8205 Intermediate Similarity NPC112829
0.8205 Intermediate Similarity NPC51106
0.8204 Intermediate Similarity NPC20216
0.8199 Intermediate Similarity NPC113608
0.8199 Intermediate Similarity NPC470340
0.8199 Intermediate Similarity NPC40356
0.8199 Intermediate Similarity NPC175978
0.8199 Intermediate Similarity NPC114880
0.8199 Intermediate Similarity NPC268992
0.8199 Intermediate Similarity NPC51824
0.8199 Intermediate Similarity NPC474843
0.8199 Intermediate Similarity NPC154683
0.8199 Intermediate Similarity NPC470338
0.8199 Intermediate Similarity NPC470337
0.8194 Intermediate Similarity NPC472605
0.8194 Intermediate Similarity NPC164697
0.8194 Intermediate Similarity NPC472604
0.8194 Intermediate Similarity NPC289660
0.8194 Intermediate Similarity NPC82920
0.8193 Intermediate Similarity NPC156082
0.8187 Intermediate Similarity NPC227275
0.8187 Intermediate Similarity NPC475233
0.8187 Intermediate Similarity NPC476509
0.8187 Intermediate Similarity NPC474660
0.8187 Intermediate Similarity NPC478050
0.8187 Intermediate Similarity NPC321387

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477675 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
0.8693 High Similarity NPD2533 Approved
0.8693 High Similarity NPD2532 Approved
0.8693 High Similarity NPD2534 Approved
0.8375 Intermediate Similarity NPD7819 Suspended
0.8133 Intermediate Similarity NPD5710 Approved
0.8133 Intermediate Similarity NPD5711 Approved
0.8129 Intermediate Similarity NPD2800 Approved
0.8072 Intermediate Similarity NPD6959 Discontinued
0.7947 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD5844 Phase 1
0.7882 Intermediate Similarity NPD7473 Discontinued
0.7857 Intermediate Similarity NPD6651 Approved
0.7848 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD6232 Discontinued
0.7798 Intermediate Similarity NPD5494 Approved
0.7784 Intermediate Similarity NPD7075 Discontinued
0.7771 Intermediate Similarity NPD2346 Discontinued
0.7771 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD6599 Discontinued
0.7707 Intermediate Similarity NPD6100 Approved
0.7707 Intermediate Similarity NPD6099 Approved
0.7697 Intermediate Similarity NPD7411 Suspended
0.7679 Intermediate Similarity NPD3749 Approved
0.7657 Intermediate Similarity NPD6559 Discontinued
0.7654 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD6801 Discontinued
0.7602 Intermediate Similarity NPD7229 Phase 3
0.7576 Intermediate Similarity NPD3226 Approved
0.7561 Intermediate Similarity NPD920 Approved
0.7547 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD1934 Approved
0.7532 Intermediate Similarity NPD2799 Discontinued
0.753 Intermediate Similarity NPD4380 Phase 2
0.7516 Intermediate Similarity NPD4628 Phase 3
0.7515 Intermediate Similarity NPD7768 Phase 2
0.7515 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1549 Phase 2
0.7484 Intermediate Similarity NPD2796 Approved
0.7473 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD3817 Phase 2
0.7452 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7452 Intermediate Similarity NPD5124 Phase 1
0.7444 Intermediate Similarity NPD8434 Phase 2
0.744 Intermediate Similarity NPD37 Approved
0.7439 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3818 Discontinued
0.7427 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD4967 Phase 2
0.7412 Intermediate Similarity NPD4965 Approved
0.7412 Intermediate Similarity NPD4966 Approved
0.7396 Intermediate Similarity NPD5760 Phase 2
0.7396 Intermediate Similarity NPD5761 Phase 2
0.7394 Intermediate Similarity NPD6273 Approved
0.7386 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD6799 Approved
0.7374 Intermediate Similarity NPD8313 Approved
0.7374 Intermediate Similarity NPD8312 Approved
0.7372 Intermediate Similarity NPD7985 Registered
0.7372 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7346 Intermediate Similarity NPD1243 Approved
0.7345 Intermediate Similarity NPD7074 Phase 3
0.7333 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD6166 Phase 2
0.7314 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD3882 Suspended
0.7301 Intermediate Similarity NPD3750 Approved
0.7294 Intermediate Similarity NPD1465 Phase 2
0.7294 Intermediate Similarity NPD2801 Approved
0.7288 Intermediate Similarity NPD7054 Approved
0.7267 Intermediate Similarity NPD1551 Phase 2
0.7267 Intermediate Similarity NPD2935 Discontinued
0.7261 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD5402 Approved
0.7247 Intermediate Similarity NPD7472 Approved
0.7241 Intermediate Similarity NPD7199 Phase 2
0.7239 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7228 Approved
0.7225 Intermediate Similarity NPD6234 Discontinued
0.7222 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD3748 Approved
0.7205 Intermediate Similarity NPD1510 Phase 2
0.7205 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD7982 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD7286 Phase 2
0.7188 Intermediate Similarity NPD1607 Approved
0.7176 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD1511 Approved
0.7167 Intermediate Similarity NPD7251 Discontinued
0.7158 Intermediate Similarity NPD8150 Discontinued
0.7152 Intermediate Similarity NPD2313 Discontinued
0.7127 Intermediate Similarity NPD7808 Phase 3
0.7127 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD919 Approved
0.7111 Intermediate Similarity NPD6797 Phase 2
0.7104 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD7033 Discontinued
0.7092 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7092 Intermediate Similarity NPD7783 Phase 2
0.7091 Intermediate Similarity NPD7003 Approved
0.7091 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1512 Approved
0.7083 Intermediate Similarity NPD7435 Discontinued
0.7077 Intermediate Similarity NPD8151 Discontinued
0.7072 Intermediate Similarity NPD7240 Approved
0.7066 Intermediate Similarity NPD7390 Discontinued
0.7063 Intermediate Similarity NPD1240 Approved
0.7062 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7458 Discontinued
0.7045 Intermediate Similarity NPD8127 Discontinued
0.7041 Intermediate Similarity NPD5403 Approved
0.7039 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD8366 Approved
0.703 Intermediate Similarity NPD6674 Discontinued
0.7024 Intermediate Similarity NPD5401 Approved
0.702 Intermediate Similarity NPD7644 Approved
0.7017 Intermediate Similarity NPD5953 Discontinued
0.7012 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD6004 Phase 3
0.7012 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD6005 Phase 3
0.7012 Intermediate Similarity NPD6002 Phase 3
0.7012 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD3787 Discontinued
0.6989 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6981 Remote Similarity NPD4625 Phase 3
0.6957 Remote Similarity NPD4140 Approved
0.6951 Remote Similarity NPD5405 Approved
0.6951 Remote Similarity NPD5408 Approved
0.6951 Remote Similarity NPD5404 Approved
0.6951 Remote Similarity NPD5406 Approved
0.6949 Remote Similarity NPD1247 Approved
0.6944 Remote Similarity NPD3751 Discontinued
0.6927 Remote Similarity NPD6777 Approved
0.6927 Remote Similarity NPD6776 Approved
0.6927 Remote Similarity NPD6781 Approved
0.6927 Remote Similarity NPD6778 Approved
0.6927 Remote Similarity NPD6779 Approved
0.6927 Remote Similarity NPD6782 Approved
0.6927 Remote Similarity NPD6780 Approved
0.6918 Remote Similarity NPD6832 Phase 2
0.6907 Remote Similarity NPD7697 Approved
0.6907 Remote Similarity NPD7696 Phase 3
0.6907 Remote Similarity NPD7698 Approved
0.6899 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6898 Remote Similarity NPD4287 Approved
0.6894 Remote Similarity NPD8032 Phase 2
0.6893 Remote Similarity NPD8491 Approved
0.6879 Remote Similarity NPD1283 Approved
0.6879 Remote Similarity NPD6696 Suspended
0.6875 Remote Similarity NPD8285 Discontinued
0.6872 Remote Similarity NPD3926 Phase 2
0.6872 Remote Similarity NPD7871 Phase 2
0.6872 Remote Similarity NPD7870 Phase 2
0.6869 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6869 Remote Similarity NPD7874 Approved
0.6859 Remote Similarity NPD1608 Approved
0.6852 Remote Similarity NPD2979 Phase 3
0.6851 Remote Similarity NPD7177 Discontinued
0.6848 Remote Similarity NPD4477 Approved
0.6848 Remote Similarity NPD4476 Approved
0.6842 Remote Similarity NPD4363 Phase 3
0.6842 Remote Similarity NPD7340 Approved
0.6842 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4360 Phase 2
0.6833 Remote Similarity NPD2403 Approved
0.6832 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6832 Remote Similarity NPD3764 Approved
0.6826 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4749 Approved
0.681 Remote Similarity NPD230 Phase 1
0.681 Remote Similarity NPD1899 Clinical (unspecified phase)
0.681 Remote Similarity NPD6355 Discontinued
0.6807 Remote Similarity NPD2344 Approved
0.6807 Remote Similarity NPD5763 Approved
0.6807 Remote Similarity NPD5762 Approved
0.6805 Remote Similarity NPD7236 Approved
0.68 Remote Similarity NPD8455 Phase 2
0.6793 Remote Similarity NPD6764 Approved
0.6793 Remote Similarity NPD6765 Approved
0.6788 Remote Similarity NPD4308 Phase 3
0.6786 Remote Similarity NPD8320 Phase 1
0.6786 Remote Similarity NPD8319 Approved
0.6779 Remote Similarity NPD8469 Approved
0.6774 Remote Similarity NPD1778 Approved
0.6769 Remote Similarity NPD6823 Phase 2
0.6768 Remote Similarity NPD7701 Phase 2
0.6761 Remote Similarity NPD5353 Approved
0.6754 Remote Similarity NPD6534 Approved
0.6754 Remote Similarity NPD6535 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3310795
ZINC  

Physicochemical Properties

Molecular Weight:  444.21
ALogP:  1.3811
MLogP:  3.44
XLogP:  3.566
# Rotatable Bonds:  8
Polar Surface Area:  91.29
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  32

Download Data

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