Natural Product: NPC477736

Natural Product ID:  NPC477736
Common Name:   Phyllaemblicin C
IUPAC Name:   [(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,3aR,4R,4'S,5'R,6S,7aR)-4'-benzoyloxy-3a,4-dihydroxy-5'-methyl-3-oxospiro[5,6,7,7a-tetrahydro-4H-1-benzofuran-2,2'-oxane]-6-carboxylate
Synonyms:   Phyllaemblicin C
Molecular Formula:   C38H52O23
Standard InCHIKey:  HCXKFKSCJVCPEU-DOYBARDJSA-N
Standard InCHI:  InChI=1S/C38H52O23/c1-14-12-54-37(9-18(14)55-31(49)15-5-3-2-4-6-15)36(51)38(52)21(42)7-16(8-22(38)61-37)32(50)60-35-30(27(47)25(45)20(11-40)57-35)59-34-29(26(46)24(44)19(10-39)56-34)58-33-28(48)23(43)17(41)13-53-33/h2-6,14,16-30,33-35,39-48,52H,7-13H2,1H3/t14-,16+,17-,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30-,33+,34+,35+,37+,38-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC(=O)[C@H]2C[C@@H](O)[C@]3([C@@H](C2)O[C@@]2(C3=O)OC[C@H]([C@H](C2)OC(=O)c2ccccc2)C)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@H]([C@@H]1O)O)O)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
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota Roots Simao city, Yunnan Province, China 2007-MAY PMID[19374435]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens CC50 = 67.7 ug/ml 19374435
NPT3494 Organism Coxsackievirus Coxsackievirus IC50 = 11 ug/ml 19374435
NPT2 Others Unspecified Ratio CC50/IC50 = 6.2 19374435

  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 NPC477736 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
0.9932 High Similarity NPC477735
0.932 High Similarity NPC477737
0.9236 High Similarity NPC102465
0.9177 High Similarity NPC477473
0.9177 High Similarity NPC477466
0.9177 High Similarity NPC477469
0.9177 High Similarity NPC477471
0.9103 High Similarity NPC150893
0.9103 High Similarity NPC295408
0.9103 High Similarity NPC329960
0.8851 High Similarity NPC77493
0.8805 High Similarity NPC471493
0.8782 High Similarity NPC469417
0.8774 High Similarity NPC472549
0.8758 High Similarity NPC469420
0.8742 High Similarity NPC66193
0.8726 High Similarity NPC477467
0.8726 High Similarity NPC469399
0.8718 High Similarity NPC106895
0.871 High Similarity NPC133430
0.871 High Similarity NPC469477
0.8704 High Similarity NPC477488
0.8701 High Similarity NPC471103
0.8701 High Similarity NPC51602
0.8688 High Similarity NPC471134
0.8679 High Similarity NPC477190
0.8679 High Similarity NPC43304
0.8679 High Similarity NPC477188
0.8671 High Similarity NPC477623
0.8662 High Similarity NPC477474
0.8662 High Similarity NPC477470
0.8662 High Similarity NPC477472
0.8659 High Similarity NPC469421
0.8654 High Similarity NPC5115
0.8654 High Similarity NPC282239
0.8654 High Similarity NPC21410
0.8654 High Similarity NPC473670
0.8645 High Similarity NPC472548
0.8645 High Similarity NPC477905
0.8636 High Similarity NPC7095
0.8634 High Similarity NPC61891
0.8608 High Similarity NPC471102
0.8599 High Similarity NPC217091
0.859 High Similarity NPC249471
0.859 High Similarity NPC472022
0.859 High Similarity NPC256142
0.859 High Similarity NPC237549
0.859 High Similarity NPC304876
0.859 High Similarity NPC265395
0.859 High Similarity NPC257213
0.859 High Similarity NPC473414
0.859 High Similarity NPC472030
0.859 High Similarity NPC1173
0.859 High Similarity NPC158333
0.859 High Similarity NPC242262
0.859 High Similarity NPC472005
0.859 High Similarity NPC69425
0.8571 High Similarity NPC250046
0.8571 High Similarity NPC60509
0.8571 High Similarity NPC81698
0.8544 High Similarity NPC472393
0.8535 High Similarity NPC469398
0.8535 High Similarity NPC114410
0.8535 High Similarity NPC112523
0.8535 High Similarity NPC228204
0.8535 High Similarity NPC26033
0.8528 High Similarity NPC40138
0.8519 High Similarity NPC477491
0.8516 High Similarity NPC198455
0.8516 High Similarity NPC161239
0.8516 High Similarity NPC165260
0.8516 High Similarity NPC112216
0.8509 High Similarity NPC322420
0.8497 Intermediate Similarity NPC127857
0.8491 Intermediate Similarity NPC476784
0.8491 Intermediate Similarity NPC49297
0.8471 Intermediate Similarity NPC77719
0.8462 Intermediate Similarity NPC329657
0.8462 Intermediate Similarity NPC101043
0.8462 Intermediate Similarity NPC306799
0.8447 Intermediate Similarity NPC165234
0.8447 Intermediate Similarity NPC275477
0.8447 Intermediate Similarity NPC475536
0.8442 Intermediate Similarity NPC469513
0.8428 Intermediate Similarity NPC181924
0.8428 Intermediate Similarity NPC469771
0.8418 Intermediate Similarity NPC469422
0.8405 Intermediate Similarity NPC475567
0.8405 Intermediate Similarity NPC324769
0.8405 Intermediate Similarity NPC473557
0.8405 Intermediate Similarity NPC473468
0.8405 Intermediate Similarity NPC325732
0.8397 Intermediate Similarity NPC473214
0.8397 Intermediate Similarity NPC470245
0.8397 Intermediate Similarity NPC469448
0.8397 Intermediate Similarity NPC254558
0.8395 Intermediate Similarity NPC475300
0.8395 Intermediate Similarity NPC473797
0.8395 Intermediate Similarity NPC473641
0.8395 Intermediate Similarity NPC475505
0.8395 Intermediate Similarity NPC475437
0.8395 Intermediate Similarity NPC475464
0.8377 Intermediate Similarity NPC471100
0.8377 Intermediate Similarity NPC471107
0.8354 Intermediate Similarity NPC475175
0.8354 Intermediate Similarity NPC219419
0.8354 Intermediate Similarity NPC475198
0.8354 Intermediate Similarity NPC475531
0.8353 Intermediate Similarity NPC187441
0.8353 Intermediate Similarity NPC283980
0.8344 Intermediate Similarity NPC469415
0.8344 Intermediate Similarity NPC470153
0.8343 Intermediate Similarity NPC176246
0.8333 Intermediate Similarity NPC473215
0.8333 Intermediate Similarity NPC476975
0.8302 Intermediate Similarity NPC259144
0.8302 Intermediate Similarity NPC251139
0.8302 Intermediate Similarity NPC155329
0.8302 Intermediate Similarity NPC34066
0.8302 Intermediate Similarity NPC114357
0.8301 Intermediate Similarity NPC182869
0.8294 Intermediate Similarity NPC470581
0.8294 Intermediate Similarity NPC115447
0.8294 Intermediate Similarity NPC83331
0.8294 Intermediate Similarity NPC470582
0.828 Intermediate Similarity NPC303429
0.828 Intermediate Similarity NPC222102
0.8274 Intermediate Similarity NPC183441
0.8261 Intermediate Similarity NPC319404
0.8258 Intermediate Similarity NPC301946
0.8258 Intermediate Similarity NPC277053
0.8253 Intermediate Similarity NPC469419
0.8239 Intermediate Similarity NPC248265
0.8239 Intermediate Similarity NPC11588
0.8239 Intermediate Similarity NPC229545
0.8239 Intermediate Similarity NPC146310
0.8239 Intermediate Similarity NPC134685
0.8232 Intermediate Similarity NPC477627
0.8225 Intermediate Similarity NPC65118
0.8194 Intermediate Similarity NPC471912
0.8194 Intermediate Similarity NPC80895
0.8187 Intermediate Similarity NPC132599
0.8187 Intermediate Similarity NPC469730
0.8187 Intermediate Similarity NPC473611
0.8187 Intermediate Similarity NPC469456
0.8187 Intermediate Similarity NPC266513
0.8187 Intermediate Similarity NPC473632
0.8182 Intermediate Similarity NPC472546
0.8176 Intermediate Similarity NPC19056
0.8176 Intermediate Similarity NPC470583
0.8171 Intermediate Similarity NPC478073
0.817 Intermediate Similarity NPC183270
0.817 Intermediate Similarity NPC477904
0.8166 Intermediate Similarity NPC13989
0.8166 Intermediate Similarity NPC270027
0.8166 Intermediate Similarity NPC477617
0.8165 Intermediate Similarity NPC91730
0.8141 Intermediate Similarity NPC174982
0.8141 Intermediate Similarity NPC200471
0.8141 Intermediate Similarity NPC70403
0.8141 Intermediate Similarity NPC472572
0.8141 Intermediate Similarity NPC470159
0.8141 Intermediate Similarity NPC96903
0.8141 Intermediate Similarity NPC476973
0.8141 Intermediate Similarity NPC472571
0.8141 Intermediate Similarity NPC184817
0.8141 Intermediate Similarity NPC29704
0.8141 Intermediate Similarity NPC158663
0.8141 Intermediate Similarity NPC177940
0.8141 Intermediate Similarity NPC171525
0.8141 Intermediate Similarity NPC473088
0.8141 Intermediate Similarity NPC472575
0.8141 Intermediate Similarity NPC469349
0.8141 Intermediate Similarity NPC472568
0.8141 Intermediate Similarity NPC471104
0.8141 Intermediate Similarity NPC470157
0.814 Intermediate Similarity NPC72783
0.8137 Intermediate Similarity NPC11410
0.8137 Intermediate Similarity NPC154675
0.8129 Intermediate Similarity NPC475613
0.8125 Intermediate Similarity NPC471135
0.8125 Intermediate Similarity NPC472657
0.8125 Intermediate Similarity NPC472658
0.8121 Intermediate Similarity NPC469519
0.8118 Intermediate Similarity NPC124828
0.8117 Intermediate Similarity NPC118080
0.8117 Intermediate Similarity NPC472576
0.8117 Intermediate Similarity NPC16912
0.8117 Intermediate Similarity NPC97947
0.8117 Intermediate Similarity NPC41481
0.8117 Intermediate Similarity NPC87448
0.8117 Intermediate Similarity NPC213567
0.8117 Intermediate Similarity NPC291599
0.8117 Intermediate Similarity NPC27377
0.8114 Intermediate Similarity NPC294863
0.8114 Intermediate Similarity NPC282636
0.8113 Intermediate Similarity NPC197037
0.811 Intermediate Similarity NPC478124
0.8108 Intermediate Similarity NPC226101
0.8108 Intermediate Similarity NPC301857

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477736 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
0.8204 Intermediate Similarity NPD7799 Discontinued
0.8133 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD8407 Phase 2
0.8012 Intermediate Similarity NPD8368 Discontinued
0.7809 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD7808 Phase 3
0.7733 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD7251 Discontinued
0.7644 Intermediate Similarity NPD6797 Phase 2
0.7634 Intermediate Similarity NPD8320 Phase 1
0.7634 Intermediate Similarity NPD8319 Approved
0.7598 Intermediate Similarity NPD8435 Approved
0.7586 Intermediate Similarity NPD7074 Phase 3
0.7584 Intermediate Similarity NPD8434 Phase 2
0.7578 Intermediate Similarity NPD7236 Approved
0.7528 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD8313 Approved
0.7514 Intermediate Similarity NPD8312 Approved
0.75 Intermediate Similarity NPD8360 Approved
0.75 Intermediate Similarity NPD8361 Approved
0.7486 Intermediate Similarity NPD7472 Approved
0.7485 Intermediate Similarity NPD8389 Clinical (unspecified phase)
0.7458 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD7239 Suspended
0.7429 Intermediate Similarity NPD7054 Approved
0.7419 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD7699 Phase 2
0.7405 Intermediate Similarity NPD7700 Phase 2
0.7389 Intermediate Similarity NPD8150 Discontinued
0.7389 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD3818 Discontinued
0.7337 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7075 Discontinued
0.7303 Intermediate Similarity NPD7685 Pre-registration
0.7302 Intermediate Similarity NPD7435 Discontinued
0.7258 Intermediate Similarity NPD8485 Approved
0.7247 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7243 Intermediate Similarity NPD6534 Approved
0.7243 Intermediate Similarity NPD6535 Approved
0.7207 Intermediate Similarity NPD6559 Discontinued
0.72 Intermediate Similarity NPD8516 Approved
0.72 Intermediate Similarity NPD8515 Approved
0.72 Intermediate Similarity NPD8517 Approved
0.7195 Intermediate Similarity NPD6190 Approved
0.7175 Intermediate Similarity NPD7228 Approved
0.7165 Intermediate Similarity NPD7874 Approved
0.7165 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD7266 Discontinued
0.7159 Intermediate Similarity NPD6166 Phase 2
0.7159 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD8455 Phase 2
0.712 Intermediate Similarity NPD7697 Approved
0.712 Intermediate Similarity NPD7696 Phase 3
0.712 Intermediate Similarity NPD7698 Approved
0.7111 Intermediate Similarity NPD7240 Approved
0.7093 Intermediate Similarity NPD3817 Phase 2
0.7093 Intermediate Similarity NPD5402 Approved
0.7086 Intermediate Similarity NPD8513 Phase 3
0.7079 Intermediate Similarity NPD3751 Discontinued
0.7076 Intermediate Similarity NPD6801 Discontinued
0.7062 Intermediate Similarity NPD7701 Phase 2
0.7059 Intermediate Similarity NPD4380 Phase 2
0.7053 Intermediate Similarity NPD6779 Approved
0.7053 Intermediate Similarity NPD6781 Approved
0.7053 Intermediate Similarity NPD6780 Approved
0.7053 Intermediate Similarity NPD6782 Approved
0.7053 Intermediate Similarity NPD6776 Approved
0.7053 Intermediate Similarity NPD6778 Approved
0.7053 Intermediate Similarity NPD6777 Approved
0.7052 Intermediate Similarity NPD7057 Phase 3
0.7052 Intermediate Similarity NPD7058 Phase 2
0.7045 Intermediate Similarity NPD3787 Discontinued
0.7026 Intermediate Similarity NPD8151 Discontinued
0.7025 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6799 Approved
0.6995 Remote Similarity NPD7870 Phase 2
0.6995 Remote Similarity NPD7871 Phase 2
0.6982 Remote Similarity NPD5403 Approved
0.6982 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6964 Remote Similarity NPD5401 Approved
0.6959 Remote Similarity NPD6599 Discontinued
0.6954 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6954 Remote Similarity NPD3882 Suspended
0.6954 Remote Similarity NPD7801 Approved
0.6936 Remote Similarity NPD7819 Suspended
0.6935 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6932 Remote Similarity NPD5494 Approved
0.6919 Remote Similarity NPD8462 Phase 1
0.6901 Remote Similarity NPD7458 Discontinued
0.6879 Remote Similarity NPD37 Approved
0.6869 Remote Similarity NPD7783 Phase 2
0.6869 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4967 Phase 2
0.6857 Remote Similarity NPD4966 Approved
0.6857 Remote Similarity NPD4965 Approved
0.6826 Remote Similarity NPD4628 Phase 3
0.6818 Remote Similarity NPD5125 Phase 3
0.6818 Remote Similarity NPD5126 Approved
0.6816 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6814 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6805 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6782 Remote Similarity NPD1934 Approved
0.6782 Remote Similarity NPD8404 Phase 2
0.678 Remote Similarity NPD6234 Discontinued
0.6774 Remote Similarity NPD8328 Phase 3
0.6755 Remote Similarity NPD2629 Approved
0.6743 Remote Similarity NPD2393 Clinical (unspecified phase)
0.674 Remote Similarity NPD7473 Discontinued
0.6737 Remote Similarity NPD6213 Phase 3
0.6737 Remote Similarity NPD6212 Phase 3
0.6737 Remote Similarity NPD6214 Clinical (unspecified phase)
0.673 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6728 Remote Similarity NPD7961 Discontinued
0.6724 Remote Similarity NPD7411 Suspended
0.6718 Remote Similarity NPD6823 Phase 2
0.6711 Remote Similarity NPD4198 Discontinued
0.6705 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6704 Remote Similarity NPD7199 Phase 2
0.6701 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6685 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5844 Phase 1
0.6667 Remote Similarity NPD969 Suspended
0.6646 Remote Similarity NPD230 Phase 1
0.6645 Remote Similarity NPD690 Clinical (unspecified phase)
0.6627 Remote Similarity NPD1878 Clinical (unspecified phase)
0.66 Remote Similarity NPD2181 Clinical (unspecified phase)
0.66 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6587 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6575 Remote Similarity NPD6232 Discontinued
0.657 Remote Similarity NPD2532 Approved
0.657 Remote Similarity NPD2534 Approved
0.657 Remote Similarity NPD2533 Approved
0.657 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6566 Remote Similarity NPD7097 Phase 1
0.6564 Remote Similarity NPD3764 Approved
0.6559 Remote Similarity NPD6765 Approved
0.6559 Remote Similarity NPD6764 Approved
0.6554 Remote Similarity NPD2801 Approved
0.6545 Remote Similarity NPD6355 Discontinued
0.6536 Remote Similarity NPD3749 Approved
0.6533 Remote Similarity NPD2067 Discontinued
0.6529 Remote Similarity NPD8166 Discontinued
0.6519 Remote Similarity NPD6959 Discontinued
0.6519 Remote Similarity NPD8127 Discontinued
0.6515 Remote Similarity NPD7680 Approved
0.6509 Remote Similarity NPD1549 Phase 2
0.65 Remote Similarity NPD919 Approved
0.6488 Remote Similarity NPD2796 Approved
0.648 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6474 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6474 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6471 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6462 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6461 Remote Similarity NPD5761 Phase 2
0.6461 Remote Similarity NPD1465 Phase 2
0.6461 Remote Similarity NPD5760 Phase 2
0.645 Remote Similarity NPD1552 Clinical (unspecified phase)
0.645 Remote Similarity NPD2346 Discontinued
0.645 Remote Similarity NPD7999 Approved
0.645 Remote Similarity NPD1550 Clinical (unspecified phase)
0.645 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6439 Remote Similarity NPD7930 Approved
0.6437 Remote Similarity NPD1512 Approved
0.6433 Remote Similarity NPD2575 Approved
0.6429 Remote Similarity NPD1510 Phase 2
0.6429 Remote Similarity NPD7033 Discontinued
0.6421 Remote Similarity NPD6784 Approved
0.6421 Remote Similarity NPD6785 Approved
0.642 Remote Similarity NPD6591 Clinical (unspecified phase)
0.642 Remote Similarity NPD3226 Approved
0.6418 Remote Similarity NPD7584 Approved
0.6398 Remote Similarity NPD7736 Approved
0.6389 Remote Similarity NPD7768 Phase 2
0.6387 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6376 Remote Similarity NPD5048 Discontinued
0.6369 Remote Similarity NPD9545 Approved
0.6364 Remote Similarity NPD1653 Approved
0.6364 Remote Similarity NPD2313 Discontinued
0.6364 Remote Similarity NPD6798 Discontinued
0.6359 Remote Similarity NPD3926 Phase 2
0.6358 Remote Similarity NPD7319 Approved
0.6358 Remote Similarity NPD2182 Approved
0.635 Remote Similarity NPD7497 Discontinued
0.6347 Remote Similarity NPD1933 Approved
0.6339 Remote Similarity NPD1247 Approved
0.6338 Remote Similarity NPD8059 Phase 3
0.6338 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6337 Remote Similarity NPD7583 Approved
0.6335 Remote Similarity NPD8074 Phase 3
0.6331 Remote Similarity NPD2799 Discontinued
0.6325 Remote Similarity NPD6233 Phase 2
0.6324 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6322 Remote Similarity NPD1511 Approved
0.6319 Remote Similarity NPD2798 Approved
0.6316 Remote Similarity NPD970 Clinical (unspecified phase)
0.631 Remote Similarity NPD1607 Approved

Structure

External Identifiers

PubChem CID   45273065
ChEMBL   CHEMBL557190
ZINC  

Physicochemical Properties

Molecular Weight:  876.29
ALogP:  -6.9036
MLogP:  3.11
XLogP:  -2.434
# Rotatable Bonds:  24
Polar Surface Area:  356.81
# H-Bond Aceptor:  23
# H-Bond Donor:  11
# Rings:  7
# Heavy Atoms:  61

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