Natural Product: NPC471623

Natural Product ID:  NPC471623
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C45H55NO15
Standard InCHIKey:  LEMYAXKYCOBYOJ-OAGWZNDDSA-N
Standard InCHI:  InChI=1S/C45H55NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(OC(C)(C)C)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
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
NPO23720.1 Taxus mairei Species Taxaceae Eukaryota barks PMID[25682561]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT168 Cell Line P388 Mus musculus IC50 = 0.17 ug/ml 23734701
NPT179 Cell Line A2780 Homo sapiens IC50 < 2 nM 24099304
NPT2 Others Unspecified IC50 < 2 nM 11076573
NPT2688 Organism Sus scrofa Sus scrofa Ratio = 0.5 21612217
NPT2 Others Unspecified Ratio = 1 21612217
NPT2 Others Unspecified IC50 < 2 nM 19296617
NPT2 Others Unspecified IC50 = 420 nM 19278853
NPT2 Others Unspecified Ratio = 1.3 21784631
NPT2 Others Unspecified IC50 = 890 nM 12828475
NPT81 Cell Line A549 Homo sapiens IC50 < 2 nM 18183025
NPT83 Cell Line MCF7 Homo sapiens IC50 < 2 nM 19805556
NPT2 Others Unspecified IC50 < 2 nM Open TG-GATES in vivo data: Hematology
NPT2 Others Unspecified IC50 < 2 nM 10.1016/S0261-2194(02)00175-8

  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 NPC471623 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
0.9708 High Similarity NPC306001
0.9708 High Similarity NPC275170
0.9708 High Similarity NPC473400
0.9708 High Similarity NPC471629
0.9708 High Similarity NPC324251
0.9708 High Similarity NPC206211
0.9651 High Similarity NPC67246
0.9651 High Similarity NPC33372
0.9593 High Similarity NPC473300
0.9593 High Similarity NPC475336
0.9593 High Similarity NPC317882
0.9593 High Similarity NPC471754
0.9593 High Similarity NPC453583
0.9438 High Similarity NPC472391
0.9432 High Similarity NPC181964
0.9432 High Similarity NPC471606
0.9432 High Similarity NPC208553
0.9382 High Similarity NPC472375
0.9382 High Similarity NPC472392
0.9379 High Similarity NPC473558
0.9375 High Similarity NPC321072
0.9375 High Similarity NPC242662
0.9375 High Similarity NPC191193
0.9375 High Similarity NPC215892
0.9282 High Similarity NPC116862
0.927 High Similarity NPC473490
0.9227 High Similarity NPC289383
0.9213 High Similarity NPC36607
0.9034 High Similarity NPC327699
0.8512 High Similarity NPC219419
0.8497 Intermediate Similarity NPC471493
0.8462 Intermediate Similarity NPC155329
0.8462 Intermediate Similarity NPC114357
0.8462 Intermediate Similarity NPC259144
0.8402 Intermediate Similarity NPC11588
0.8402 Intermediate Similarity NPC134685
0.8402 Intermediate Similarity NPC229545
0.8402 Intermediate Similarity NPC248265
0.8363 Intermediate Similarity NPC472393
0.8333 Intermediate Similarity NPC91730
0.8304 Intermediate Similarity NPC217091
0.8304 Intermediate Similarity NPC106895
0.8284 Intermediate Similarity NPC197037
0.8246 Intermediate Similarity NPC228204
0.8246 Intermediate Similarity NPC282239
0.8246 Intermediate Similarity NPC21410
0.8246 Intermediate Similarity NPC473670
0.8246 Intermediate Similarity NPC26033
0.8225 Intermediate Similarity NPC7095
0.8214 Intermediate Similarity NPC217918
0.8187 Intermediate Similarity NPC265395
0.8187 Intermediate Similarity NPC472005
0.8187 Intermediate Similarity NPC158333
0.8187 Intermediate Similarity NPC242262
0.8187 Intermediate Similarity NPC237549
0.8187 Intermediate Similarity NPC256142
0.8187 Intermediate Similarity NPC473414
0.8187 Intermediate Similarity NPC472030
0.8187 Intermediate Similarity NPC304876
0.8187 Intermediate Similarity NPC257213
0.8187 Intermediate Similarity NPC1173
0.8187 Intermediate Similarity NPC472022
0.8187 Intermediate Similarity NPC249471
0.8176 Intermediate Similarity NPC101043
0.8176 Intermediate Similarity NPC471103
0.8176 Intermediate Similarity NPC51602
0.8176 Intermediate Similarity NPC306799
0.8166 Intermediate Similarity NPC60509
0.8166 Intermediate Similarity NPC81698
0.8166 Intermediate Similarity NPC250046
0.814 Intermediate Similarity NPC472549
0.814 Intermediate Similarity NPC112523
0.814 Intermediate Similarity NPC114410
0.8118 Intermediate Similarity NPC165260
0.8118 Intermediate Similarity NPC161239
0.8118 Intermediate Similarity NPC112216
0.8118 Intermediate Similarity NPC198455
0.8103 Intermediate Similarity NPC471102
0.8095 Intermediate Similarity NPC127857
0.8081 Intermediate Similarity NPC77719
0.8046 Intermediate Similarity NPC469771
0.8023 Intermediate Similarity NPC472548
0.8012 Intermediate Similarity NPC470245
0.8012 Intermediate Similarity NPC254558
0.8012 Intermediate Similarity NPC473214
0.8 Intermediate Similarity NPC469399
0.7965 Intermediate Similarity NPC470153
0.7953 Intermediate Similarity NPC473215
0.7953 Intermediate Similarity NPC476975
0.7944 Intermediate Similarity NPC102465
0.7943 Intermediate Similarity NPC469417
0.7941 Intermediate Similarity NPC474935
0.7931 Intermediate Similarity NPC473632
0.7931 Intermediate Similarity NPC469730
0.7931 Intermediate Similarity NPC132599
0.7931 Intermediate Similarity NPC473611
0.7929 Intermediate Similarity NPC38696
0.7921 Intermediate Similarity NPC66193
0.7919 Intermediate Similarity NPC477905
0.7917 Intermediate Similarity NPC182869
0.7917 Intermediate Similarity NPC34012
0.7882 Intermediate Similarity NPC471107
0.7882 Intermediate Similarity NPC471100
0.7882 Intermediate Similarity NPC301946
0.7882 Intermediate Similarity NPC277053
0.7877 Intermediate Similarity NPC471134
0.7833 Intermediate Similarity NPC61891
0.7824 Intermediate Similarity NPC471912
0.7824 Intermediate Similarity NPC80895
0.7821 Intermediate Similarity NPC295408
0.7821 Intermediate Similarity NPC329960
0.7821 Intermediate Similarity NPC150893
0.7809 Intermediate Similarity NPC476077
0.7802 Intermediate Similarity NPC477469
0.7802 Intermediate Similarity NPC477473
0.7802 Intermediate Similarity NPC477466
0.7802 Intermediate Similarity NPC477471
0.7778 Intermediate Similarity NPC476973
0.7778 Intermediate Similarity NPC472572
0.7778 Intermediate Similarity NPC471104
0.7778 Intermediate Similarity NPC158663
0.7778 Intermediate Similarity NPC184817
0.7778 Intermediate Similarity NPC473088
0.7778 Intermediate Similarity NPC70403
0.7778 Intermediate Similarity NPC470159
0.7778 Intermediate Similarity NPC470157
0.7778 Intermediate Similarity NPC174982
0.7778 Intermediate Similarity NPC171525
0.7778 Intermediate Similarity NPC472575
0.7778 Intermediate Similarity NPC29704
0.7778 Intermediate Similarity NPC472571
0.7778 Intermediate Similarity NPC469349
0.7778 Intermediate Similarity NPC472568
0.7778 Intermediate Similarity NPC200471
0.7778 Intermediate Similarity NPC177940
0.7778 Intermediate Similarity NPC96903
0.7771 Intermediate Similarity NPC469477
0.7771 Intermediate Similarity NPC133430
0.7747 Intermediate Similarity NPC40138
0.7733 Intermediate Similarity NPC94602
0.7733 Intermediate Similarity NPC477737
0.7727 Intermediate Similarity NPC5115
0.7719 Intermediate Similarity NPC163719
0.7719 Intermediate Similarity NPC70716
0.7719 Intermediate Similarity NPC188865
0.7719 Intermediate Similarity NPC11685
0.7719 Intermediate Similarity NPC125106
0.7719 Intermediate Similarity NPC95810
0.7719 Intermediate Similarity NPC57628
0.7719 Intermediate Similarity NPC475759
0.7719 Intermediate Similarity NPC241951
0.7719 Intermediate Similarity NPC476974
0.7719 Intermediate Similarity NPC472573
0.7719 Intermediate Similarity NPC470152
0.7719 Intermediate Similarity NPC472570
0.7719 Intermediate Similarity NPC470231
0.7719 Intermediate Similarity NPC472569
0.7719 Intermediate Similarity NPC95265
0.7719 Intermediate Similarity NPC475122
0.7719 Intermediate Similarity NPC25768
0.7706 Intermediate Similarity NPC472546
0.7684 Intermediate Similarity NPC11410
0.7676 Intermediate Similarity NPC469421
0.7674 Intermediate Similarity NPC473541
0.7674 Intermediate Similarity NPC472556
0.7667 Intermediate Similarity NPC275477
0.7667 Intermediate Similarity NPC477188
0.7667 Intermediate Similarity NPC477190
0.7667 Intermediate Similarity NPC43304
0.7667 Intermediate Similarity NPC55744
0.7667 Intermediate Similarity NPC253738
0.7661 Intermediate Similarity NPC163087
0.7661 Intermediate Similarity NPC477894
0.765 Intermediate Similarity NPC469420
0.7647 Intermediate Similarity NPC27377
0.7647 Intermediate Similarity NPC97947
0.7647 Intermediate Similarity NPC87448
0.7647 Intermediate Similarity NPC16912
0.7647 Intermediate Similarity NPC224491
0.7647 Intermediate Similarity NPC118080
0.7647 Intermediate Similarity NPC41481
0.7647 Intermediate Similarity NPC472576
0.7647 Intermediate Similarity NPC291599
0.7647 Intermediate Similarity NPC213567
0.7644 Intermediate Similarity NPC92293
0.7644 Intermediate Similarity NPC266265
0.7644 Intermediate Similarity NPC270590
0.7644 Intermediate Similarity NPC471101
0.7644 Intermediate Similarity NPC301556
0.764 Intermediate Similarity NPC477735
0.7637 Intermediate Similarity NPC30171
0.7627 Intermediate Similarity NPC34066
0.7627 Intermediate Similarity NPC251139
0.7626 Intermediate Similarity NPC314941
0.7624 Intermediate Similarity NPC322420
0.7616 Intermediate Similarity NPC260194
0.7609 Intermediate Similarity NPC120667
0.7609 Intermediate Similarity NPC278272
0.76 Intermediate Similarity NPC315889
0.76 Intermediate Similarity NPC469448

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471623 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
1.0 High Similarity NPD8435 Approved
0.9882 High Similarity NPD8361 Approved
0.9882 High Similarity NPD8360 Approved
0.9647 High Similarity NPD8424 Clinical (unspecified phase)
0.9492 High Similarity NPD8486 Clinical (unspecified phase)
0.9432 High Similarity NPD8485 Approved
0.9353 High Similarity NPD8368 Discontinued
0.9302 High Similarity NPD8407 Phase 2
0.8953 High Similarity NPD8470 Clinical (unspecified phase)
0.8737 High Similarity NPD8462 Phase 1
0.8462 Intermediate Similarity NPD8404 Phase 2
0.7626 Intermediate Similarity NPD8320 Phase 1
0.7626 Intermediate Similarity NPD8319 Approved
0.7612 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7612 Intermediate Similarity NPD7874 Approved
0.7579 Intermediate Similarity NPD8434 Phase 2
0.7568 Intermediate Similarity NPD7799 Discontinued
0.75 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7699 Phase 2
0.75 Intermediate Similarity NPD7700 Phase 2
0.7436 Intermediate Similarity NPD6534 Approved
0.7436 Intermediate Similarity NPD6535 Approved
0.7402 Intermediate Similarity NPD7801 Approved
0.7396 Intermediate Similarity NPD8150 Discontinued
0.7273 Intermediate Similarity NPD7236 Approved
0.7263 Intermediate Similarity NPD7239 Suspended
0.7255 Intermediate Similarity NPD7701 Phase 2
0.725 Intermediate Similarity NPD6782 Approved
0.725 Intermediate Similarity NPD6781 Approved
0.725 Intermediate Similarity NPD6777 Approved
0.725 Intermediate Similarity NPD6778 Approved
0.725 Intermediate Similarity NPD6776 Approved
0.725 Intermediate Similarity NPD6780 Approved
0.725 Intermediate Similarity NPD6779 Approved
0.7228 Intermediate Similarity NPD7698 Approved
0.7228 Intermediate Similarity NPD7697 Approved
0.7228 Intermediate Similarity NPD7696 Phase 3
0.7228 Intermediate Similarity NPD7435 Discontinued
0.7192 Intermediate Similarity NPD7871 Phase 2
0.7192 Intermediate Similarity NPD7870 Phase 2
0.7191 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD8151 Discontinued
0.7022 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD6823 Phase 2
0.6991 Remote Similarity NPD8468 Phase 2
0.699 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5030 Phase 2
0.6923 Remote Similarity NPD4955 Approved
0.6923 Remote Similarity NPD4954 Approved
0.6923 Remote Similarity NPD36 Approved
0.6923 Remote Similarity NPD5034 Approved
0.6923 Remote Similarity NPD5026 Approved
0.6923 Remote Similarity NPD5028 Approved
0.6905 Remote Similarity NPD7783 Phase 2
0.6905 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6904 Remote Similarity NPD5036 Approved
0.6904 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6893 Remote Similarity NPD7497 Discontinued
0.6869 Remote Similarity NPD5038 Approved
0.6869 Remote Similarity NPD5037 Approved
0.6839 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6809 Remote Similarity NPD7057 Phase 3
0.6809 Remote Similarity NPD7058 Phase 2
0.6782 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6782 Remote Similarity NPD6213 Phase 3
0.6782 Remote Similarity NPD6212 Phase 3
0.6774 Remote Similarity NPD7907 Approved
0.6773 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6773 Remote Similarity NPD8059 Phase 3
0.6735 Remote Similarity NPD3823 Discontinued
0.6667 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6648 Remote Similarity NPD6190 Approved
0.6636 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6634 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6633 Remote Similarity NPD5035 Approved
0.6618 Remote Similarity NPD8285 Discontinued
0.6616 Remote Similarity NPD5027 Approved
0.6616 Remote Similarity NPD5031 Approved
0.6616 Remote Similarity NPD5029 Approved
0.6614 Remote Similarity NPD7972 Discontinued
0.6614 Remote Similarity NPD7460 Discontinued
0.6614 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6607 Remote Similarity NPD8067 Phase 3
0.6606 Remote Similarity NPD4665 Approved
0.6602 Remote Similarity NPD7282 Approved
0.6598 Remote Similarity NPD5242 Approved
0.6597 Remote Similarity NPD7075 Discontinued
0.6593 Remote Similarity NPD2575 Approved
0.6588 Remote Similarity NPD7999 Approved
0.6582 Remote Similarity NPD3751 Discontinued
0.6574 Remote Similarity NPD7930 Approved
0.6571 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6569 Remote Similarity NPD5968 Phase 3
0.6564 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6561 Remote Similarity NPD7029 Discontinued
0.6557 Remote Similarity NPD6973 Clinical (unspecified phase)
0.6557 Remote Similarity NPD7584 Approved
0.6557 Remote Similarity NPD7583 Approved
0.6552 Remote Similarity NPD6836 Approved
0.655 Remote Similarity NPD8313 Approved
0.655 Remote Similarity NPD8312 Approved
0.6548 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6545 Remote Similarity NPD8366 Approved
0.6543 Remote Similarity NPD6599 Discontinued
0.653 Remote Similarity NPD4111 Phase 1
0.6526 Remote Similarity NPD7585 Approved
0.6522 Remote Similarity NPD2975 Approved
0.6522 Remote Similarity NPD2974 Approved
0.6522 Remote Similarity NPD2973 Approved
0.6508 Remote Similarity NPD6386 Approved
0.6508 Remote Similarity NPD6385 Approved
0.6507 Remote Similarity NPD4580 Approved
0.6502 Remote Similarity NPD8491 Approved
0.65 Remote Similarity NPD7962 Phase 2
0.65 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6497 Remote Similarity NPD7713 Phase 3
0.6492 Remote Similarity NPD5402 Approved
0.648 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6476 Remote Similarity NPD3452 Approved
0.6476 Remote Similarity NPD2493 Approved
0.6476 Remote Similarity NPD2494 Approved
0.6476 Remote Similarity NPD3450 Approved
0.6474 Remote Similarity NPD6801 Discontinued
0.6462 Remote Similarity NPD4583 Approved
0.6462 Remote Similarity NPD4582 Approved
0.6462 Remote Similarity NPD3787 Discontinued
0.6459 Remote Similarity NPD7811 Phase 3
0.6459 Remote Similarity NPD7810 Phase 3
0.6459 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6447 Remote Similarity NPD7473 Discontinued
0.6445 Remote Similarity NPD5006 Approved
0.6445 Remote Similarity NPD5005 Approved
0.644 Remote Similarity NPD7819 Suspended
0.6439 Remote Similarity NPD3808 Clinical (unspecified phase)
0.6432 Remote Similarity NPD5441 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4914 Approved
0.6418 Remote Similarity NPD7808 Phase 3
0.6415 Remote Similarity NPD4004 Approved
0.6415 Remote Similarity NPD4002 Approved
0.6413 Remote Similarity NPD4628 Phase 3
0.6413 Remote Similarity NPD3400 Discontinued
0.6411 Remote Similarity NPD4420 Approved
0.6408 Remote Similarity NPD3819 Phase 2
0.6406 Remote Similarity NPD3817 Phase 2
0.6404 Remote Similarity NPD7961 Discontinued
0.6404 Remote Similarity NPD7714 Approved
0.6404 Remote Similarity NPD7715 Approved
0.6402 Remote Similarity NPD7458 Discontinued
0.6396 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6382 Remote Similarity NPD5844 Phase 1
0.6381 Remote Similarity NPD7565 Approved
0.6379 Remote Similarity NPD5667 Approved
0.6373 Remote Similarity NPD3863 Clinical (unspecified phase)
0.6368 Remote Similarity NPD3057 Approved
0.6368 Remote Similarity NPD4380 Phase 2
0.6368 Remote Similarity NPD7251 Discontinued
0.6351 Remote Similarity NPD4107 Approved
0.6341 Remote Similarity NPD7693 Approved
0.634 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6337 Remote Similarity NPD5032 Approved
0.6337 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6332 Remote Similarity NPD7177 Discontinued
0.633 Remote Similarity NPD7827 Phase 1
0.6328 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6327 Remote Similarity NPD8127 Discontinued
0.6324 Remote Similarity NPD8166 Discontinued
0.632 Remote Similarity NPD7048 Phase 3
0.6318 Remote Similarity NPD6797 Phase 2
0.6318 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6316 Remote Similarity NPD3455 Phase 2
0.6313 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6313 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6313 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6313 Remote Similarity NPD6166 Phase 2
0.631 Remote Similarity NPD6799 Approved
0.6305 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6303 Remote Similarity NPD5544 Approved
0.6302 Remote Similarity NPD6844 Discontinued
0.6298 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6296 Remote Similarity NPD5403 Approved
0.6294 Remote Similarity NPD7315 Approved
0.6294 Remote Similarity NPD6232 Discontinued
0.6291 Remote Similarity NPD3533 Approved
0.6291 Remote Similarity NPD2972 Approved
0.6291 Remote Similarity NPD4386 Approved
0.6291 Remote Similarity NPD4387 Approved
0.6289 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6287 Remote Similarity NPD7685 Pre-registration
0.6287 Remote Similarity NPD7039 Approved
0.6287 Remote Similarity NPD5039 Approved
0.6287 Remote Similarity NPD7038 Approved
0.6278 Remote Similarity NPD5119 Approved
0.6278 Remote Similarity NPD5121 Approved
0.6278 Remote Similarity NPD5120 Approved
0.6277 Remote Similarity NPD5401 Approved
0.6276 Remote Similarity NPD6746 Phase 2
0.6272 Remote Similarity NPD4198 Discontinued
0.6269 Remote Similarity NPD7074 Phase 3

Structure

External Identifiers

PubChem CID   147895
ChEMBL   CHEMBL302290
ZINC  

Physicochemical Properties

Molecular Weight:  849.36
ALogP:  -0.0388
MLogP:  4.65
XLogP:  5.361
# Rotatable Bonds:  28
Polar Surface Area:  234.01
# H-Bond Aceptor:  16
# H-Bond Donor:  4
# Rings:  6
# Heavy Atoms:  61

Download Data

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Biological Activities  
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