Natural Product: NPC151292

Natural Product ID:  NPC151292
Common Name:   Neobulgarone E
IUPAC Name:   (10S)-4-chloro-10-[(9S)-1-chloro-2,4-dihydroxy-5-methoxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,3-dihydroxy-8-methoxy-6-methyl-10H-anthracen-9-one
Synonyms:   Neobulgarone E
Molecular Formula:   C32H24Cl2O8
Standard InCHIKey:  QAZZAQNQJFRMEL-DNQXCXABSA-N
Standard InCHI:  InChI=1S/C32H24Cl2O8/c1-11-5-13-21(19(7-11)41-3)31(39)25-15(35)9-17(37)29(33)27(25)23(13)24-14-6-12(2)8-20(42-4)22(14)32(40)26-16(36)10-18(38)30(34)28(24)26/h5-10,23-24,35-38H,1-4H3/t23-,24-/m1/s1
Canonical SMILES:  COc1cc(C)cc2c1C(=O)c1c([C@H]2[C@H]2c3cc(C)cc(c3C(=O)c3c2c(Cl)c(O)cc3O)OC)c(Cl)c(cc1O)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
NPO30770 Penicillium sp. Species Aspergillaceae Eukaryota Limonium tubiflorum PMID[21146414]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 46000 nM 17958396
NPT15 Cell Line Jurkat Homo sapiens IC50 = 82400 nM Open TG-GATES in vivo data: Hematology
NPT111 Cell Line K562 Homo sapiens IC50 > 100000 nM Open TG-GATES in vivo data: Pathology
NPT466 Cell Line U-937 Homo sapiens IC50 = 47600 nM 21719287
NPT471 Organism Trypanosoma brucei brucei Trypanosoma brucei brucei MIC > 100000 nM 17261619

  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 NPC151292 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
0.9822 High Similarity NPC191606
0.9118 High Similarity NPC277865
0.9064 High Similarity NPC474857
0.896 High Similarity NPC264922
0.8786 High Similarity NPC470565
0.8693 High Similarity NPC45072
0.8686 High Similarity NPC470422
0.8678 High Similarity NPC470562
0.8629 High Similarity NPC470560
0.8564 High Similarity NPC474499
0.8538 High Similarity NPC472060
0.8538 High Similarity NPC472052
0.8538 High Similarity NPC470342
0.8516 High Similarity NPC316091
0.8492 Intermediate Similarity NPC306240
0.8439 Intermediate Similarity NPC470561
0.8391 Intermediate Similarity NPC470563
0.8382 Intermediate Similarity NPC273467
0.8382 Intermediate Similarity NPC189552
0.8343 Intermediate Similarity NPC68850
0.8324 Intermediate Similarity NPC186325
0.8324 Intermediate Similarity NPC312993
0.8315 Intermediate Similarity NPC313386
0.8304 Intermediate Similarity NPC66508
0.8304 Intermediate Similarity NPC226656
0.8266 Intermediate Similarity NPC177650
0.8266 Intermediate Similarity NPC18699
0.8266 Intermediate Similarity NPC55443
0.8256 Intermediate Similarity NPC280497
0.8256 Intermediate Similarity NPC470564
0.8249 Intermediate Similarity NPC472032
0.8245 Intermediate Similarity NPC313541
0.8239 Intermediate Similarity NPC469664
0.8229 Intermediate Similarity NPC15374
0.8225 Intermediate Similarity NPC329933
0.8214 Intermediate Similarity NPC475348
0.8214 Intermediate Similarity NPC261271
0.8214 Intermediate Similarity NPC34802
0.8193 Intermediate Similarity NPC293545
0.8193 Intermediate Similarity NPC174905
0.8192 Intermediate Similarity NPC477835
0.8171 Intermediate Similarity NPC18380
0.8166 Intermediate Similarity NPC152233
0.8161 Intermediate Similarity NPC195167
0.8161 Intermediate Similarity NPC470559
0.8161 Intermediate Similarity NPC324736
0.814 Intermediate Similarity NPC324447
0.8138 Intermediate Similarity NPC214901
0.8122 Intermediate Similarity NPC477568
0.8118 Intermediate Similarity NPC477221
0.8114 Intermediate Similarity NPC184326
0.8114 Intermediate Similarity NPC292863
0.8114 Intermediate Similarity NPC476506
0.8111 Intermediate Similarity NPC477836
0.8107 Intermediate Similarity NPC126767
0.8107 Intermediate Similarity NPC289042
0.8107 Intermediate Similarity NPC190648
0.8107 Intermediate Similarity NPC312929
0.8107 Intermediate Similarity NPC118027
0.8107 Intermediate Similarity NPC245584
0.8107 Intermediate Similarity NPC56433
0.8107 Intermediate Similarity NPC477569
0.8103 Intermediate Similarity NPC208258
0.8095 Intermediate Similarity NPC194949
0.8095 Intermediate Similarity NPC282957
0.8092 Intermediate Similarity NPC254351
0.8092 Intermediate Similarity NPC79375
0.8092 Intermediate Similarity NPC37253
0.8085 Intermediate Similarity NPC220369
0.8084 Intermediate Similarity NPC313047
0.8084 Intermediate Similarity NPC474203
0.8084 Intermediate Similarity NPC295712
0.8084 Intermediate Similarity NPC451542
0.8084 Intermediate Similarity NPC84266
0.8081 Intermediate Similarity NPC43345
0.8079 Intermediate Similarity NPC470081
0.807 Intermediate Similarity NPC470568
0.8068 Intermediate Similarity NPC219686
0.8068 Intermediate Similarity NPC137232
0.8068 Intermediate Similarity NPC298401
0.8068 Intermediate Similarity NPC301256
0.8068 Intermediate Similarity NPC312273
0.8063 Intermediate Similarity NPC154720
0.8057 Intermediate Similarity NPC105584
0.8057 Intermediate Similarity NPC228654
0.8057 Intermediate Similarity NPC90497
0.8054 Intermediate Similarity NPC99937
0.8046 Intermediate Similarity NPC54830
0.8046 Intermediate Similarity NPC56049
0.8045 Intermediate Similarity NPC234497
0.8045 Intermediate Similarity NPC324522
0.8045 Intermediate Similarity NPC105414
0.8045 Intermediate Similarity NPC470341
0.8045 Intermediate Similarity NPC472058
0.8036 Intermediate Similarity NPC227841
0.8035 Intermediate Similarity NPC329844
0.8024 Intermediate Similarity NPC182255
0.8024 Intermediate Similarity NPC94076
0.8024 Intermediate Similarity NPC26238
0.8023 Intermediate Similarity NPC149526
0.8023 Intermediate Similarity NPC474417
0.8023 Intermediate Similarity NPC473696
0.8023 Intermediate Similarity NPC470569
0.8023 Intermediate Similarity NPC476551
0.8023 Intermediate Similarity NPC473012
0.8023 Intermediate Similarity NPC474096
0.8023 Intermediate Similarity NPC476553
0.8023 Intermediate Similarity NPC478148
0.8023 Intermediate Similarity NPC476552
0.8023 Intermediate Similarity NPC245122
0.8022 Intermediate Similarity NPC477992
0.8022 Intermediate Similarity NPC477991
0.8012 Intermediate Similarity NPC477566
0.8012 Intermediate Similarity NPC158338
0.8012 Intermediate Similarity NPC100985
0.8012 Intermediate Similarity NPC288036
0.8012 Intermediate Similarity NPC97029
0.8012 Intermediate Similarity NPC97028
0.8012 Intermediate Similarity NPC477567
0.8012 Intermediate Similarity NPC65589
0.8011 Intermediate Similarity NPC195136
0.8011 Intermediate Similarity NPC42965
0.8011 Intermediate Similarity NPC226462
0.8011 Intermediate Similarity NPC98023
0.8 Intermediate Similarity NPC1796
0.8 Intermediate Similarity NPC290194
0.8 Intermediate Similarity NPC472404
0.8 Intermediate Similarity NPC257166
0.7989 Intermediate Similarity NPC205026
0.7989 Intermediate Similarity NPC474061
0.7989 Intermediate Similarity NPC158027
0.7989 Intermediate Similarity NPC265624
0.7989 Intermediate Similarity NPC121649
0.7989 Intermediate Similarity NPC248739
0.7989 Intermediate Similarity NPC251336
0.7989 Intermediate Similarity NPC14606
0.7989 Intermediate Similarity NPC100049
0.7989 Intermediate Similarity NPC159707
0.7989 Intermediate Similarity NPC186227
0.7989 Intermediate Similarity NPC471801
0.7989 Intermediate Similarity NPC30027
0.7989 Intermediate Similarity NPC52611
0.7989 Intermediate Similarity NPC215203
0.7989 Intermediate Similarity NPC150908
0.7988 Intermediate Similarity NPC471473
0.7988 Intermediate Similarity NPC471523
0.7988 Intermediate Similarity NPC471524
0.7979 Intermediate Similarity NPC470100
0.7979 Intermediate Similarity NPC470099
0.7978 Intermediate Similarity NPC473009
0.7978 Intermediate Similarity NPC476505
0.7978 Intermediate Similarity NPC290160
0.7977 Intermediate Similarity NPC40356
0.7977 Intermediate Similarity NPC154683
0.7977 Intermediate Similarity NPC87708
0.7966 Intermediate Similarity NPC472261
0.7965 Intermediate Similarity NPC290954
0.7965 Intermediate Similarity NPC255641
0.7965 Intermediate Similarity NPC147735
0.7965 Intermediate Similarity NPC294646
0.7958 Intermediate Similarity NPC198163
0.7955 Intermediate Similarity NPC15815
0.7955 Intermediate Similarity NPC51760
0.7955 Intermediate Similarity NPC51247
0.7953 Intermediate Similarity NPC7025
0.7953 Intermediate Similarity NPC27221
0.7953 Intermediate Similarity NPC256672
0.7944 Intermediate Similarity NPC253730
0.7944 Intermediate Similarity NPC286230
0.7943 Intermediate Similarity NPC146211
0.7941 Intermediate Similarity NPC225173
0.7941 Intermediate Similarity NPC163846
0.7933 Intermediate Similarity NPC73544
0.7933 Intermediate Similarity NPC169471
0.7933 Intermediate Similarity NPC473010
0.7933 Intermediate Similarity NPC173352
0.7933 Intermediate Similarity NPC58653
0.7931 Intermediate Similarity NPC303485
0.7931 Intermediate Similarity NPC71061
0.7931 Intermediate Similarity NPC121568
0.7931 Intermediate Similarity NPC72425
0.7931 Intermediate Similarity NPC194593
0.7931 Intermediate Similarity NPC290830
0.7929 Intermediate Similarity NPC19896
0.7921 Intermediate Similarity NPC149389
0.7919 Intermediate Similarity NPC232645
0.7919 Intermediate Similarity NPC72958
0.7917 Intermediate Similarity NPC126534
0.7917 Intermediate Similarity NPC40118
0.7917 Intermediate Similarity NPC232021
0.791 Intermediate Similarity NPC121647
0.7906 Intermediate Similarity NPC48822
0.7903 Intermediate Similarity NPC293227
0.7903 Intermediate Similarity NPC473631
0.7903 Intermediate Similarity NPC473717
0.7903 Intermediate Similarity NPC475662
0.7901 Intermediate Similarity NPC300307
0.7898 Intermediate Similarity NPC272196
0.7898 Intermediate Similarity NPC475184
0.7898 Intermediate Similarity NPC474637

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC151292 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
0.8171 Intermediate Similarity NPD6959 Discontinued
0.8036 Intermediate Similarity NPD7390 Discontinued
0.779 Intermediate Similarity NPD7473 Discontinued
0.7784 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD6232 Discontinued
0.7637 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7627 Intermediate Similarity NPD7819 Suspended
0.7584 Intermediate Similarity NPD8438 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7446 Intermediate Similarity NPD2403 Approved
0.7444 Intermediate Similarity NPD7768 Phase 2
0.744 Intermediate Similarity NPD1607 Approved
0.7427 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD7411 Suspended
0.7371 Intermediate Similarity NPD2534 Approved
0.7371 Intermediate Similarity NPD2532 Approved
0.7371 Intermediate Similarity NPD2533 Approved
0.736 Intermediate Similarity NPD4380 Phase 2
0.7353 Intermediate Similarity NPD1510 Phase 2
0.7333 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4360 Phase 2
0.7333 Intermediate Similarity NPD4363 Phase 3
0.7321 Intermediate Similarity NPD1240 Approved
0.7258 Intermediate Similarity NPD6166 Phase 2
0.7258 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7003 Approved
0.7225 Intermediate Similarity NPD8312 Approved
0.7225 Intermediate Similarity NPD8313 Approved
0.7216 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7213 Intermediate Similarity NPD3749 Approved
0.7209 Intermediate Similarity NPD5406 Approved
0.7209 Intermediate Similarity NPD5408 Approved
0.7209 Intermediate Similarity NPD5405 Approved
0.7209 Intermediate Similarity NPD5404 Approved
0.7208 Intermediate Similarity NPD4361 Phase 2
0.7208 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5844 Phase 1
0.7143 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6651 Approved
0.7126 Intermediate Similarity NPD1549 Phase 2
0.712 Intermediate Similarity NPD7075 Discontinued
0.7111 Intermediate Similarity NPD3226 Approved
0.7088 Intermediate Similarity NPD1934 Approved
0.7079 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7049 Intermediate Similarity NPD2801 Approved
0.7045 Intermediate Similarity NPD3750 Approved
0.7039 Intermediate Similarity NPD8151 Discontinued
0.7022 Intermediate Similarity NPD1511 Approved
0.7017 Intermediate Similarity NPD7458 Discontinued
0.7011 Intermediate Similarity NPD2935 Discontinued
0.7011 Intermediate Similarity NPD2796 Approved
0.7011 Intermediate Similarity NPD6100 Approved
0.7011 Intermediate Similarity NPD6099 Approved
0.6979 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6973 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6957 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5494 Approved
0.6944 Remote Similarity NPD1512 Approved
0.6943 Remote Similarity NPD6559 Discontinued
0.6935 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7870 Phase 2
0.6927 Remote Similarity NPD7041 Phase 2
0.6927 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7074 Phase 3
0.6927 Remote Similarity NPD7871 Phase 2
0.6902 Remote Similarity NPD6801 Discontinued
0.6893 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6893 Remote Similarity NPD2800 Approved
0.6885 Remote Similarity NPD6599 Discontinued
0.6882 Remote Similarity NPD3882 Suspended
0.6878 Remote Similarity NPD5710 Approved
0.6878 Remote Similarity NPD5711 Approved
0.6875 Remote Similarity NPD7054 Approved
0.6839 Remote Similarity NPD7472 Approved
0.6831 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6828 Remote Similarity NPD3817 Phase 2
0.6821 Remote Similarity NPD7808 Phase 3
0.6814 Remote Similarity NPD6782 Approved
0.6814 Remote Similarity NPD6780 Approved
0.6814 Remote Similarity NPD6777 Approved
0.6814 Remote Similarity NPD6776 Approved
0.6814 Remote Similarity NPD6779 Approved
0.6814 Remote Similarity NPD6781 Approved
0.6814 Remote Similarity NPD6778 Approved
0.6804 Remote Similarity NPD6797 Phase 2
0.6802 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6796 Remote Similarity NPD7698 Approved
0.6796 Remote Similarity NPD7696 Phase 3
0.6796 Remote Similarity NPD7697 Approved
0.678 Remote Similarity NPD2346 Discontinued
0.6769 Remote Similarity NPD7251 Discontinued
0.6768 Remote Similarity NPD8150 Discontinued
0.6766 Remote Similarity NPD1201 Approved
0.6761 Remote Similarity NPD3748 Approved
0.676 Remote Similarity NPD6398 Clinical (unspecified phase)
0.674 Remote Similarity NPD6799 Approved
0.6738 Remote Similarity NPD2379 Clinical (unspecified phase)
0.6736 Remote Similarity NPD3818 Discontinued
0.6736 Remote Similarity NPD7177 Discontinued
0.6735 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6723 Remote Similarity NPD1551 Phase 2
0.6721 Remote Similarity NPD6980 Clinical (unspecified phase)
0.672 Remote Similarity NPD37 Approved
0.6719 Remote Similarity NPD5822 Clinical (unspecified phase)
0.6715 Remote Similarity NPD7435 Discontinued
0.6706 Remote Similarity NPD1470 Approved
0.6703 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6686 Remote Similarity NPD4908 Phase 1
0.6684 Remote Similarity NPD1465 Phase 2
0.6667 Remote Similarity NPD7701 Phase 2
0.6667 Remote Similarity NPD2799 Discontinued
0.6651 Remote Similarity NPD7801 Approved
0.6647 Remote Similarity NPD4625 Phase 3
0.6633 Remote Similarity NPD5953 Discontinued
0.6632 Remote Similarity NPD6234 Discontinued
0.6629 Remote Similarity NPD943 Approved
0.6615 Remote Similarity NPD7229 Phase 3
0.6614 Remote Similarity NPD4966 Approved
0.6614 Remote Similarity NPD4965 Approved
0.6614 Remote Similarity NPD4967 Phase 2
0.6612 Remote Similarity NPD1578 Phase 2
0.6611 Remote Similarity NPD1243 Approved
0.6604 Remote Similarity NPD7874 Approved
0.6604 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6592 Remote Similarity NPD2344 Approved
0.6587 Remote Similarity NPD6823 Phase 2
0.658 Remote Similarity NPD3926 Phase 2
0.6577 Remote Similarity NPD7654 Discontinued
0.6575 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6573 Remote Similarity NPD7783 Phase 2
0.6573 Remote Similarity NPD7782 Clinical (unspecified phase)
0.657 Remote Similarity NPD2798 Approved
0.6569 Remote Similarity NPD6534 Approved
0.6569 Remote Similarity NPD6535 Approved
0.6566 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6564 Remote Similarity NPD7228 Approved
0.6562 Remote Similarity NPD7199 Phase 2
0.6561 Remote Similarity NPD5402 Approved
0.6553 Remote Similarity NPD7699 Phase 2
0.6553 Remote Similarity NPD7700 Phase 2
0.655 Remote Similarity NPD1283 Approved
0.6541 Remote Similarity NPD5403 Approved
0.6524 Remote Similarity NPD8320 Phase 1
0.6524 Remote Similarity NPD8319 Approved
0.6514 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6505 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6495 Remote Similarity NPD7184 Clinical (unspecified phase)
0.649 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6488 Remote Similarity NPD1651 Approved
0.6486 Remote Similarity NPD6273 Approved
0.6484 Remote Similarity NPD4628 Phase 3
0.6468 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6455 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6453 Remote Similarity NPD4287 Approved
0.6452 Remote Similarity NPD920 Approved
0.6448 Remote Similarity NPD2309 Approved
0.6447 Remote Similarity NPD7286 Phase 2
0.6443 Remote Similarity NPD3787 Discontinued
0.6433 Remote Similarity NPD3972 Approved
0.6432 Remote Similarity NPD5401 Approved
0.6429 Remote Similarity NPD2654 Approved
0.6421 Remote Similarity NPD8455 Phase 2
0.642 Remote Similarity NPD3764 Approved
0.6413 Remote Similarity NPD643 Clinical (unspecified phase)
0.6411 Remote Similarity NPD4914 Approved
0.6402 Remote Similarity NPD958 Approved
0.6396 Remote Similarity NPD3751 Discontinued
0.6395 Remote Similarity NPD4749 Approved
0.6393 Remote Similarity NPD8166 Discontinued
0.6389 Remote Similarity NPD651 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6378 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6377 Remote Similarity NPD4931 Phase 2
0.6374 Remote Similarity NPD1281 Approved
0.6373 Remote Similarity NPD919 Approved
0.6364 Remote Similarity NPD5544 Approved
0.6359 Remote Similarity NPD2354 Approved
0.6359 Remote Similarity NPD6212 Phase 3
0.6359 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6359 Remote Similarity NPD6213 Phase 3
0.6353 Remote Similarity NPD4626 Approved
0.635 Remote Similarity NPD3303 Discontinued
0.6346 Remote Similarity NPD4915 Approved
0.6344 Remote Similarity NPD642 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4978 Clinical (unspecified phase)
0.633 Remote Similarity NPD957 Approved
0.6329 Remote Similarity NPD6312 Discontinued
0.6328 Remote Similarity NPD3268 Approved
0.6328 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6328 Remote Similarity NPD2313 Discontinued
0.6327 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6318 Remote Similarity NPD8453 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4974 Approved

Structure

External Identifiers

PubChem CID   10531758
ChEMBL   CHEMBL1643637
ZINC  

Physicochemical Properties

Molecular Weight:  606.08
ALogP:  0.2972
MLogP:  3.88
XLogP:  3.932
# Rotatable Bonds:  13
Polar Surface Area:  133.52
# H-Bond Aceptor:  2
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  42

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Biological Activities  
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