Natural Product: NPC478035

Natural Product ID:  NPC478035
Common Name:   Trioxacarcin D
IUPAC Name:  
Synonyms:   Trioxacarcin D
Molecular Formula:   C40H50O19
Standard InCHIKey:  OIAMNLQWYUHUAN-FVHIEPIMSA-N
Standard InCHI:  InChI=1S/C40H50O19/c1-14-9-18-25(29(45)27-26(30(18)49-6)20(10-19(42)28(27)44)55-23-12-36(5,47)33(46)15(2)53-23)31-24(14)32-34-39(57-31,37(13-52-37)40(58-32,59-34)35(50-7)51-8)56-22-11-21(43)38(48,16(3)41)17(4)54-22/h9,15,17,19-23,32-35,42-43,45-48H,10-13H2,1-8H3/t15-,17-,19-,20-,21+,22-,23-,32-,33+,34-,36+,37-,38+,39+,40-/m0/s1
Canonical SMILES:  COC([C@]12O[C@@H]3[C@H](O1)[C@@]([C@@]12OC1)(O[C@H]1C[C@@H](O)[C@@]([C@@H](O1)C)(O)C(=O)C)Oc1c3c(C)cc2c1c(O)c1c(c2OC)[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)O)O)C[C@@H](C1=O)O)OC
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
NPO33633 Streptomyces sp. isolate B8652 BCC 5149 Species Streptomycetaceae Bacteria PMID[19299148]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 0.0015 ug/ml 19299148
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 = 0.0017 ug/ml 19299148

  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 NPC478035 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
0.9884 High Similarity NPC478034
0.9278 High Similarity NPC314687
0.8722 High Similarity NPC470453
0.8722 High Similarity NPC164047
0.8722 High Similarity NPC470452
0.8722 High Similarity NPC470448
0.8696 High Similarity NPC48474
0.8667 High Similarity NPC245059
0.8667 High Similarity NPC84494
0.8652 High Similarity NPC213052
0.8617 High Similarity NPC131405
0.8611 High Similarity NPC470582
0.8611 High Similarity NPC115447
0.8611 High Similarity NPC266513
0.8611 High Similarity NPC470581
0.8603 High Similarity NPC470583
0.8603 High Similarity NPC19056
0.8548 High Similarity NPC470199
0.8548 High Similarity NPC314459
0.8541 High Similarity NPC314672
0.8508 High Similarity NPC83331
0.8503 High Similarity NPC314020
0.85 High Similarity NPC470454
0.85 High Similarity NPC63105
0.85 High Similarity NPC199533
0.8495 Intermediate Similarity NPC321046
0.8492 Intermediate Similarity NPC315619
0.8483 Intermediate Similarity NPC246274
0.8483 Intermediate Similarity NPC259905
0.8483 Intermediate Similarity NPC473202
0.8478 Intermediate Similarity NPC87583
0.8462 Intermediate Similarity NPC187441
0.8462 Intermediate Similarity NPC283980
0.8457 Intermediate Similarity NPC470196
0.8457 Intermediate Similarity NPC470195
0.8457 Intermediate Similarity NPC470197
0.8457 Intermediate Similarity NPC282474
0.8457 Intermediate Similarity NPC470198
0.8457 Intermediate Similarity NPC470193
0.8457 Intermediate Similarity NPC316274
0.8457 Intermediate Similarity NPC470194
0.8457 Intermediate Similarity NPC470200
0.8453 Intermediate Similarity NPC46958
0.8453 Intermediate Similarity NPC232818
0.8453 Intermediate Similarity NPC198893
0.8453 Intermediate Similarity NPC475233
0.8453 Intermediate Similarity NPC314489
0.8436 Intermediate Similarity NPC470580
0.8407 Intermediate Similarity NPC477682
0.8407 Intermediate Similarity NPC477683
0.8389 Intermediate Similarity NPC270027
0.8387 Intermediate Similarity NPC41845
0.8378 Intermediate Similarity NPC241847
0.8371 Intermediate Similarity NPC178851
0.837 Intermediate Similarity NPC475656
0.837 Intermediate Similarity NPC475148
0.8361 Intermediate Similarity NPC58538
0.8352 Intermediate Similarity NPC102053
0.8352 Intermediate Similarity NPC324220
0.8352 Intermediate Similarity NPC475246
0.8352 Intermediate Similarity NPC312630
0.8343 Intermediate Similarity NPC98776
0.8333 Intermediate Similarity NPC294863
0.8333 Intermediate Similarity NPC282636
0.8324 Intermediate Similarity NPC292706
0.8324 Intermediate Similarity NPC148710
0.8324 Intermediate Similarity NPC63470
0.8324 Intermediate Similarity NPC49690
0.8324 Intermediate Similarity NPC106700
0.8324 Intermediate Similarity NPC472722
0.8324 Intermediate Similarity NPC224557
0.8315 Intermediate Similarity NPC477860
0.8315 Intermediate Similarity NPC208069
0.8315 Intermediate Similarity NPC475161
0.8315 Intermediate Similarity NPC478026
0.8305 Intermediate Similarity NPC216752
0.8297 Intermediate Similarity NPC307754
0.8297 Intermediate Similarity NPC223735
0.8297 Intermediate Similarity NPC3718
0.8287 Intermediate Similarity NPC76128
0.8287 Intermediate Similarity NPC30432
0.8287 Intermediate Similarity NPC111536
0.8287 Intermediate Similarity NPC271385
0.8287 Intermediate Similarity NPC5029
0.828 Intermediate Similarity NPC221140
0.828 Intermediate Similarity NPC475352
0.828 Intermediate Similarity NPC475220
0.828 Intermediate Similarity NPC229817
0.828 Intermediate Similarity NPC473686
0.8278 Intermediate Similarity NPC191653
0.8278 Intermediate Similarity NPC5319
0.827 Intermediate Similarity NPC313452
0.827 Intermediate Similarity NPC473072
0.827 Intermediate Similarity NPC478001
0.8268 Intermediate Similarity NPC178173
0.8261 Intermediate Similarity NPC299149
0.8261 Intermediate Similarity NPC114257
0.8261 Intermediate Similarity NPC277710
0.8261 Intermediate Similarity NPC153578
0.8258 Intermediate Similarity NPC17432
0.8251 Intermediate Similarity NPC98943
0.8251 Intermediate Similarity NPC289876
0.8242 Intermediate Similarity NPC25724
0.8242 Intermediate Similarity NPC85368
0.8242 Intermediate Similarity NPC154986
0.8242 Intermediate Similarity NPC203751
0.8239 Intermediate Similarity NPC470607
0.8235 Intermediate Similarity NPC174486
0.8232 Intermediate Similarity NPC477571
0.8232 Intermediate Similarity NPC477572
0.8232 Intermediate Similarity NPC477573
0.8232 Intermediate Similarity NPC298778
0.8222 Intermediate Similarity NPC225419
0.8222 Intermediate Similarity NPC473094
0.8216 Intermediate Similarity NPC473071
0.8216 Intermediate Similarity NPC315221
0.8216 Intermediate Similarity NPC197357
0.8216 Intermediate Similarity NPC473073
0.8216 Intermediate Similarity NPC85316
0.8207 Intermediate Similarity NPC241196
0.8207 Intermediate Similarity NPC67302
0.8197 Intermediate Similarity NPC68381
0.8192 Intermediate Similarity NPC470358
0.8187 Intermediate Similarity NPC9002
0.8187 Intermediate Similarity NPC288152
0.8187 Intermediate Similarity NPC137871
0.8187 Intermediate Similarity NPC257011
0.8187 Intermediate Similarity NPC476159
0.8182 Intermediate Similarity NPC470606
0.8177 Intermediate Similarity NPC137460
0.8177 Intermediate Similarity NPC473095
0.8177 Intermediate Similarity NPC473096
0.8172 Intermediate Similarity NPC473883
0.8172 Intermediate Similarity NPC473631
0.8172 Intermediate Similarity NPC475662
0.8172 Intermediate Similarity NPC293227
0.8172 Intermediate Similarity NPC473717
0.8167 Intermediate Similarity NPC70441
0.8162 Intermediate Similarity NPC241423
0.8162 Intermediate Similarity NPC473682
0.8162 Intermediate Similarity NPC470444
0.8162 Intermediate Similarity NPC473571
0.8162 Intermediate Similarity NPC110941
0.8162 Intermediate Similarity NPC126784
0.8162 Intermediate Similarity NPC470443
0.8156 Intermediate Similarity NPC257566
0.8156 Intermediate Similarity NPC183672
0.8156 Intermediate Similarity NPC124155
0.8152 Intermediate Similarity NPC65563
0.8152 Intermediate Similarity NPC156635
0.8152 Intermediate Similarity NPC255799
0.8152 Intermediate Similarity NPC469345
0.8152 Intermediate Similarity NPC257714
0.8152 Intermediate Similarity NPC169733
0.8152 Intermediate Similarity NPC470949
0.8142 Intermediate Similarity NPC470335
0.8142 Intermediate Similarity NPC470336
0.8132 Intermediate Similarity NPC199079
0.8132 Intermediate Similarity NPC251144
0.8132 Intermediate Similarity NPC241874
0.8132 Intermediate Similarity NPC241387
0.8132 Intermediate Similarity NPC210808
0.8132 Intermediate Similarity NPC477670
0.8128 Intermediate Similarity NPC470455
0.8128 Intermediate Similarity NPC470451
0.8128 Intermediate Similarity NPC75574
0.8125 Intermediate Similarity NPC17521
0.8122 Intermediate Similarity NPC249977
0.8122 Intermediate Similarity NPC103633
0.8114 Intermediate Similarity NPC470331
0.8111 Intermediate Similarity NPC294722
0.8111 Intermediate Similarity NPC475979
0.8111 Intermediate Similarity NPC470735
0.8111 Intermediate Similarity NPC287889
0.8111 Intermediate Similarity NPC329647
0.8111 Intermediate Similarity NPC135358
0.8108 Intermediate Similarity NPC168584
0.8108 Intermediate Similarity NPC233978
0.8108 Intermediate Similarity NPC5671
0.8105 Intermediate Similarity NPC264302
0.8101 Intermediate Similarity NPC472402
0.8101 Intermediate Similarity NPC44947
0.8101 Intermediate Similarity NPC131745
0.8101 Intermediate Similarity NPC259834
0.8098 Intermediate Similarity NPC232412
0.8098 Intermediate Similarity NPC108202
0.8098 Intermediate Similarity NPC472607
0.8098 Intermediate Similarity NPC470667
0.8098 Intermediate Similarity NPC86809
0.8098 Intermediate Similarity NPC294629
0.8098 Intermediate Similarity NPC98667
0.8098 Intermediate Similarity NPC162248
0.8098 Intermediate Similarity NPC102028
0.8098 Intermediate Similarity NPC474345
0.8095 Intermediate Similarity NPC473618
0.8087 Intermediate Similarity NPC183441
0.8087 Intermediate Similarity NPC169018
0.8085 Intermediate Similarity NPC197972
0.8077 Intermediate Similarity NPC222455
0.8077 Intermediate Similarity NPC207574

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478035 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
0.8333 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8278 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8098 Intermediate Similarity NPD7808 Phase 3
0.8043 Intermediate Similarity NPD7251 Discontinued
0.7989 Intermediate Similarity NPD6797 Phase 2
0.7957 Intermediate Similarity NPD8312 Approved
0.7957 Intermediate Similarity NPD8313 Approved
0.7935 Intermediate Similarity NPD7472 Approved
0.7908 Intermediate Similarity NPD7697 Approved
0.7908 Intermediate Similarity NPD7696 Phase 3
0.7908 Intermediate Similarity NPD7698 Approved
0.788 Intermediate Similarity NPD7054 Approved
0.7849 Intermediate Similarity NPD6559 Discontinued
0.7846 Intermediate Similarity NPD6778 Approved
0.7846 Intermediate Similarity NPD6781 Approved
0.7846 Intermediate Similarity NPD6780 Approved
0.7846 Intermediate Similarity NPD6782 Approved
0.7846 Intermediate Similarity NPD6777 Approved
0.7846 Intermediate Similarity NPD6776 Approved
0.7846 Intermediate Similarity NPD6779 Approved
0.7839 Intermediate Similarity NPD7701 Phase 2
0.7838 Intermediate Similarity NPD7074 Phase 3
0.7835 Intermediate Similarity NPD7699 Phase 2
0.7835 Intermediate Similarity NPD7700 Phase 2
0.7826 Intermediate Similarity NPD3751 Discontinued
0.7817 Intermediate Similarity NPD7435 Discontinued
0.7807 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD7870 Phase 2
0.7778 Intermediate Similarity NPD7871 Phase 2
0.7747 Intermediate Similarity NPD6959 Discontinued
0.773 Intermediate Similarity NPD3818 Discontinued
0.7723 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7723 Intermediate Similarity NPD7783 Phase 2
0.7705 Intermediate Similarity NPD3787 Discontinued
0.768 Intermediate Similarity NPD6534 Approved
0.768 Intermediate Similarity NPD6535 Approved
0.7673 Intermediate Similarity NPD7874 Approved
0.7673 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7656 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD7801 Approved
0.7624 Intermediate Similarity NPD8151 Discontinued
0.7552 Intermediate Similarity NPD8150 Discontinued
0.754 Intermediate Similarity NPD7228 Approved
0.7527 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD6166 Phase 2
0.7527 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6823 Phase 2
0.7486 Intermediate Similarity NPD7075 Discontinued
0.7458 Intermediate Similarity NPD2533 Approved
0.7458 Intermediate Similarity NPD2532 Approved
0.7458 Intermediate Similarity NPD2534 Approved
0.7444 Intermediate Similarity NPD4380 Phase 2
0.7426 Intermediate Similarity NPD8320 Phase 1
0.7426 Intermediate Similarity NPD8319 Approved
0.7418 Intermediate Similarity NPD7819 Suspended
0.7409 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD5844 Phase 1
0.7405 Intermediate Similarity NPD5494 Approved
0.7377 Intermediate Similarity NPD5402 Approved
0.7371 Intermediate Similarity NPD8434 Phase 2
0.733 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7304 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7473 Discontinued
0.7292 Intermediate Similarity NPD7240 Approved
0.7283 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD6801 Discontinued
0.7263 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD6232 Discontinued
0.7228 Intermediate Similarity NPD2801 Approved
0.7228 Intermediate Similarity NPD8455 Phase 2
0.7186 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD6212 Phase 3
0.7186 Intermediate Similarity NPD6213 Phase 3
0.7174 Intermediate Similarity NPD1934 Approved
0.7166 Intermediate Similarity NPD6234 Discontinued
0.7163 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD4965 Approved
0.7151 Intermediate Similarity NPD3882 Suspended
0.7151 Intermediate Similarity NPD4967 Phase 2
0.7151 Intermediate Similarity NPD4966 Approved
0.7113 Intermediate Similarity NPD7685 Pre-registration
0.7109 Intermediate Similarity NPD7930 Approved
0.7097 Intermediate Similarity NPD3817 Phase 2
0.7079 Intermediate Similarity NPD2800 Approved
0.7072 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD8059 Phase 3
0.7059 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5710 Approved
0.7053 Intermediate Similarity NPD5711 Approved
0.7021 Intermediate Similarity NPD3749 Approved
0.7 Intermediate Similarity NPD1247 Approved
0.6995 Remote Similarity NPD5403 Approved
0.6989 Remote Similarity NPD37 Approved
0.6984 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6973 Remote Similarity NPD6599 Discontinued
0.6952 Remote Similarity NPD1465 Phase 2
0.694 Remote Similarity NPD1512 Approved
0.6938 Remote Similarity NPD7584 Approved
0.6935 Remote Similarity NPD7411 Suspended
0.6927 Remote Similarity NPD970 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6927 Remote Similarity NPD8285 Discontinued
0.6919 Remote Similarity NPD3226 Approved
0.6912 Remote Similarity NPD7907 Approved
0.6911 Remote Similarity NPD7199 Phase 2
0.6907 Remote Similarity NPD7799 Discontinued
0.689 Remote Similarity NPD7999 Approved
0.6885 Remote Similarity NPD5401 Approved
0.6878 Remote Similarity NPD7768 Phase 2
0.6872 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6872 Remote Similarity NPD2346 Discontinued
0.6872 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6851 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6835 Remote Similarity NPD8366 Approved
0.6833 Remote Similarity NPD1549 Phase 2
0.6831 Remote Similarity NPD6799 Approved
0.6831 Remote Similarity NPD7390 Discontinued
0.6831 Remote Similarity NPD1511 Approved
0.682 Remote Similarity NPD4111 Phase 1
0.6816 Remote Similarity NPD6099 Approved
0.6816 Remote Similarity NPD6100 Approved
0.6806 Remote Similarity NPD919 Approved
0.6796 Remote Similarity NPD6674 Discontinued
0.6794 Remote Similarity NPD7680 Approved
0.6787 Remote Similarity NPD8491 Approved
0.6774 Remote Similarity NPD1653 Approved
0.6758 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6758 Remote Similarity NPD3750 Approved
0.6748 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6743 Remote Similarity NPD4665 Approved
0.6741 Remote Similarity NPD8067 Phase 3
0.6738 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6738 Remote Similarity NPD7458 Discontinued
0.6722 Remote Similarity NPD2796 Approved
0.672 Remote Similarity NPD920 Approved
0.6705 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6703 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6682 Remote Similarity NPD8469 Approved
0.6667 Remote Similarity NPD8407 Phase 2
0.6667 Remote Similarity NPD4628 Phase 3
0.6667 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3926 Phase 2
0.6667 Remote Similarity NPD1510 Phase 2
0.6651 Remote Similarity NPD8404 Phase 2
0.6648 Remote Similarity NPD6651 Approved
0.663 Remote Similarity NPD2935 Discontinued
0.6613 Remote Similarity NPD642 Clinical (unspecified phase)
0.6612 Remote Similarity NPD1243 Approved
0.66 Remote Similarity NPD8368 Discontinued
0.6597 Remote Similarity NPD5760 Phase 2
0.6597 Remote Similarity NPD5761 Phase 2
0.6589 Remote Similarity NPD7585 Approved
0.6575 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6567 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6556 Remote Similarity NPD1607 Approved
0.6543 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6542 Remote Similarity NPD7583 Approved
0.6531 Remote Similarity NPD7229 Phase 3
0.6524 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6517 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6517 Remote Similarity NPD7985 Registered
0.6509 Remote Similarity NPD3533 Approved
0.6509 Remote Similarity NPD2972 Approved
0.6509 Remote Similarity NPD2491 Approved
0.6505 Remote Similarity NPD643 Clinical (unspecified phase)
0.6498 Remote Similarity NPD5676 Approved
0.6493 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6484 Remote Similarity NPD3748 Approved
0.6471 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6465 Remote Similarity NPD2403 Approved
0.6461 Remote Similarity NPD4625 Phase 3
0.6458 Remote Similarity NPD6844 Discontinued
0.645 Remote Similarity NPD8470 Clinical (unspecified phase)
0.645 Remote Similarity NPD7048 Phase 3
0.6448 Remote Similarity NPD1551 Phase 2
0.6444 Remote Similarity NPD1240 Approved
0.6432 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6432 Remote Similarity NPD3448 Approved
0.6432 Remote Similarity NPD3057 Approved
0.6425 Remote Similarity NPD2313 Discontinued
0.6422 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6417 Remote Similarity NPD3300 Phase 2
0.6413 Remote Similarity NPD2344 Approved
0.6411 Remote Similarity NPD4363 Phase 3
0.6411 Remote Similarity NPD4360 Phase 2
0.6409 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6409 Remote Similarity NPD5124 Phase 1
0.64 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6393 Remote Similarity NPD7033 Discontinued
0.6386 Remote Similarity NPD5953 Discontinued
0.6378 Remote Similarity NPD2424 Discontinued
0.6377 Remote Similarity NPD4287 Approved
0.6377 Remote Similarity NPD8361 Approved

Structure

External Identifiers

PubChem CID   49799759
ChEMBL   CHEMBL1171262
ZINC  

Physicochemical Properties

Molecular Weight:  834.29
ALogP:  -5.095
MLogP:  3.77
XLogP:  -0.737
# Rotatable Bonds:  23
Polar Surface Area:  260.35
# H-Bond Aceptor:  19
# H-Bond Donor:  6
# Rings:  9
# Heavy Atoms:  59

Download Data

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