Natural Product: NPC477495

Natural Product ID:  NPC477495
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H40O7
Standard InCHIKey:  NQDRVWQAEFRUEQ-ZFEXEXADSA-N
Standard InCHI:  InChI=1S/C28H40O7/c1-7-15(2)24(32)34-21-22-25(5)11-9-19(31)14-18(25)8-12-27(22)28(35-27)13-10-20(16(3)29)26(28,6)23(21)33-17(4)30/h15,18,20-23H,7-14H2,1-6H3/t15?,18-,20+,21-,22+,23+,25-,26-,27-,28+/m0/s1
Canonical SMILES:  CCC(C(=O)O[C@H]1[C@@H]2[C@@]3(C)CCC(=O)C[C@@H]3CC[C@@]32O[C@@]23[C@@]([C@@H]1OC(=O)C)(C)[C@H](CC2)C(=O)C)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
NPO23320 Marsdenia tenacissima Species Apocynaceae Eukaryota stems Simao County, Yunnan Province, China 2005-MAR PMID[25215856]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 110 nM 25215856
NPT2 Others Unspecified IC50 = 220 nM 25215856
NPT2 Others Unspecified IC50 = 2100 nM 25215856
NPT2 Others Unspecified IC50 = 850 nM 25215856
NPT2 Others Unspecified IC50 = 11500 nM 25215856
NPT2 Others Unspecified IC50 = 9400 nM 25215856
NPT2 Others Unspecified IC50 = 12000 nM 25215856
NPT2 Others Unspecified IC50 = 10200 nM 25215856
NPT2 Others Unspecified Ratio IC50 = 19 25215856
NPT2 Others Unspecified Ratio IC50 = 4 25215856
NPT2 Others Unspecified Ratio IC50 = 1 25215856
NPT2 Others Unspecified Ratio IC50 = 1.1 25215856
NPT2452 Cell Line NCI-H292 IC50 = 840 nM 25215856
NPT2 Others Unspecified IC50 = 5400 nM 25215856
NPT2 Others Unspecified IC50 = 11100 nM 25215856
NPT2452 Cell Line NCI-H292 IC50 = 600 nM 25215856
NPT2 Others Unspecified IC50 = 3100 nM 25215856
NPT2 Others Unspecified IC50 = 6500 nM 25215856
NPT2452 Cell Line NCI-H292 IC50 = 140 nM 25215856
NPT2 Others Unspecified IC50 = 11300 nM 25215856
NPT2 Others Unspecified IC50 = 32200 nM 25215856
NPT2452 Cell Line NCI-H292 IC50 = 160 nM 25215856
NPT2 Others Unspecified IC50 = 7200 nM 25215856
NPT2 Others Unspecified IC50 = 21800 nM 25215856

  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 NPC477495 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
0.8447 Intermediate Similarity NPC477489
0.8404 Intermediate Similarity NPC476189
0.837 Intermediate Similarity NPC476379
0.8333 Intermediate Similarity NPC116683
0.8333 Intermediate Similarity NPC235109
0.8333 Intermediate Similarity NPC163685
0.8316 Intermediate Similarity NPC470423
0.8298 Intermediate Similarity NPC52756
0.8298 Intermediate Similarity NPC216137
0.8247 Intermediate Similarity NPC471241
0.8247 Intermediate Similarity NPC266417
0.8229 Intermediate Similarity NPC17336
0.8229 Intermediate Similarity NPC82633
0.8229 Intermediate Similarity NPC470031
0.8211 Intermediate Similarity NPC474379
0.82 Intermediate Similarity NPC471253
0.82 Intermediate Similarity NPC473406
0.8191 Intermediate Similarity NPC77756
0.819 Intermediate Similarity NPC97002
0.8172 Intermediate Similarity NPC477614
0.8172 Intermediate Similarity NPC226491
0.8152 Intermediate Similarity NPC472272
0.8125 Intermediate Similarity NPC470424
0.8119 Intermediate Similarity NPC100078
0.81 Intermediate Similarity NPC213528
0.81 Intermediate Similarity NPC470172
0.81 Intermediate Similarity NPC471254
0.81 Intermediate Similarity NPC244969
0.8095 Intermediate Similarity NPC477492
0.809 Intermediate Similarity NPC125366
0.8046 Intermediate Similarity NPC471046
0.8043 Intermediate Similarity NPC266651
0.8041 Intermediate Similarity NPC62407
0.8041 Intermediate Similarity NPC287354
0.8039 Intermediate Similarity NPC166079
0.8039 Intermediate Similarity NPC306776
0.802 Intermediate Similarity NPC34562
0.798 Intermediate Similarity NPC253995
0.7959 Intermediate Similarity NPC476728
0.7955 Intermediate Similarity NPC143250
0.7941 Intermediate Similarity NPC328737
0.7941 Intermediate Similarity NPC327093
0.7935 Intermediate Similarity NPC65133
0.7912 Intermediate Similarity NPC477284
0.7895 Intermediate Similarity NPC61688
0.7895 Intermediate Similarity NPC56962
0.7895 Intermediate Similarity NPC24705
0.7889 Intermediate Similarity NPC134227
0.7872 Intermediate Similarity NPC202937
0.7872 Intermediate Similarity NPC263802
0.7872 Intermediate Similarity NPC239938
0.7849 Intermediate Similarity NPC473350
0.7835 Intermediate Similarity NPC228700
0.7826 Intermediate Similarity NPC259173
0.7822 Intermediate Similarity NPC259654
0.7822 Intermediate Similarity NPC121218
0.7822 Intermediate Similarity NPC178853
0.7822 Intermediate Similarity NPC298266
0.7822 Intermediate Similarity NPC253886
0.7812 Intermediate Similarity NPC470114
0.781 Intermediate Similarity NPC227879
0.781 Intermediate Similarity NPC208333
0.7802 Intermediate Similarity NPC329490
0.7802 Intermediate Similarity NPC328639
0.78 Intermediate Similarity NPC476294
0.7789 Intermediate Similarity NPC476435
0.7778 Intermediate Similarity NPC477287
0.7778 Intermediate Similarity NPC470115
0.7778 Intermediate Similarity NPC476176
0.7778 Intermediate Similarity NPC470116
0.7767 Intermediate Similarity NPC301787
0.7767 Intermediate Similarity NPC470167
0.7766 Intermediate Similarity NPC475729
0.7766 Intermediate Similarity NPC474215
0.7766 Intermediate Similarity NPC80700
0.7766 Intermediate Similarity NPC476727
0.7766 Intermediate Similarity NPC302111
0.7766 Intermediate Similarity NPC477441
0.7766 Intermediate Similarity NPC476726
0.7766 Intermediate Similarity NPC131365
0.7745 Intermediate Similarity NPC170615
0.7742 Intermediate Similarity NPC471044
0.7742 Intermediate Similarity NPC50438
0.7742 Intermediate Similarity NPC473336
0.7717 Intermediate Similarity NPC317066
0.7717 Intermediate Similarity NPC13494
0.7717 Intermediate Similarity NPC60018
0.7717 Intermediate Similarity NPC154043
0.7717 Intermediate Similarity NPC202688
0.7717 Intermediate Similarity NPC121121
0.7714 Intermediate Similarity NPC316930
0.7714 Intermediate Similarity NPC218123
0.7714 Intermediate Similarity NPC112895
0.7714 Intermediate Similarity NPC231278
0.7708 Intermediate Similarity NPC472233
0.7708 Intermediate Similarity NPC472234
0.7706 Intermediate Similarity NPC475490
0.77 Intermediate Similarity NPC472273
0.7699 Intermediate Similarity NPC135038
0.7699 Intermediate Similarity NPC267822
0.7699 Intermediate Similarity NPC43252
0.7692 Intermediate Similarity NPC472853
0.7692 Intermediate Similarity NPC474714
0.7692 Intermediate Similarity NPC222833
0.7692 Intermediate Similarity NPC138908
0.7692 Intermediate Similarity NPC200957
0.7684 Intermediate Similarity NPC5943
0.767 Intermediate Similarity NPC107385
0.7664 Intermediate Similarity NPC94650
0.7653 Intermediate Similarity NPC161035
0.7647 Intermediate Similarity NPC252614
0.7642 Intermediate Similarity NPC320475
0.7642 Intermediate Similarity NPC321661
0.7634 Intermediate Similarity NPC327451
0.7634 Intermediate Similarity NPC227170
0.7632 Intermediate Similarity NPC169818
0.7629 Intermediate Similarity NPC472146
0.7629 Intermediate Similarity NPC185529
0.7624 Intermediate Similarity NPC38296
0.7624 Intermediate Similarity NPC162459
0.7624 Intermediate Similarity NPC38471
0.7624 Intermediate Similarity NPC472144
0.7624 Intermediate Similarity NPC28864
0.7624 Intermediate Similarity NPC20479
0.7624 Intermediate Similarity NPC98837
0.7619 Intermediate Similarity NPC166993
0.7614 Intermediate Similarity NPC55508
0.7611 Intermediate Similarity NPC65858
0.7609 Intermediate Similarity NPC469745
0.7604 Intermediate Similarity NPC471221
0.76 Intermediate Similarity NPC475785
0.76 Intermediate Similarity NPC475765
0.76 Intermediate Similarity NPC477264
0.7596 Intermediate Similarity NPC88469
0.7596 Intermediate Similarity NPC47281
0.7582 Intermediate Similarity NPC320144
0.7582 Intermediate Similarity NPC201276
0.7582 Intermediate Similarity NPC80891
0.7579 Intermediate Similarity NPC472745
0.7579 Intermediate Similarity NPC477283
0.7579 Intermediate Similarity NPC83242
0.7579 Intermediate Similarity NPC215968
0.7579 Intermediate Similarity NPC155531
0.7579 Intermediate Similarity NPC474448
0.7556 Intermediate Similarity NPC471151
0.7556 Intermediate Similarity NPC474404
0.7553 Intermediate Similarity NPC473299
0.7553 Intermediate Similarity NPC291310
0.7553 Intermediate Similarity NPC9060
0.7553 Intermediate Similarity NPC477434
0.7553 Intermediate Similarity NPC319909
0.7553 Intermediate Similarity NPC181871
0.7551 Intermediate Similarity NPC473066
0.7551 Intermediate Similarity NPC474065
0.7549 Intermediate Similarity NPC41843
0.7549 Intermediate Similarity NPC293866
0.7547 Intermediate Similarity NPC273155
0.7528 Intermediate Similarity NPC72444
0.7527 Intermediate Similarity NPC61107
0.7527 Intermediate Similarity NPC289486
0.7527 Intermediate Similarity NPC477936
0.7526 Intermediate Similarity NPC471459
0.7526 Intermediate Similarity NPC67653
0.7526 Intermediate Similarity NPC477440
0.7526 Intermediate Similarity NPC200580
0.7526 Intermediate Similarity NPC477443
0.7525 Intermediate Similarity NPC472145
0.7525 Intermediate Similarity NPC190080
0.7525 Intermediate Similarity NPC111187
0.7525 Intermediate Similarity NPC469810
0.7524 Intermediate Similarity NPC28791
0.7524 Intermediate Similarity NPC470587
0.7524 Intermediate Similarity NPC295366
0.7524 Intermediate Similarity NPC37600
0.7524 Intermediate Similarity NPC50535
0.75 Intermediate Similarity NPC477851
0.75 Intermediate Similarity NPC215570
0.75 Intermediate Similarity NPC305808
0.75 Intermediate Similarity NPC470920
0.75 Intermediate Similarity NPC109510
0.75 Intermediate Similarity NPC470609
0.75 Intermediate Similarity NPC473062
0.75 Intermediate Similarity NPC209298
0.75 Intermediate Similarity NPC469824
0.75 Intermediate Similarity NPC277074
0.75 Intermediate Similarity NPC16449
0.75 Intermediate Similarity NPC122811
0.75 Intermediate Similarity NPC87927
0.7478 Intermediate Similarity NPC469790
0.7476 Intermediate Similarity NPC477172
0.7476 Intermediate Similarity NPC295276
0.7476 Intermediate Similarity NPC46848
0.7475 Intermediate Similarity NPC122083
0.7475 Intermediate Similarity NPC472231
0.7475 Intermediate Similarity NPC182740
0.7475 Intermediate Similarity NPC256104
0.7475 Intermediate Similarity NPC472232
0.7475 Intermediate Similarity NPC211845
0.7474 Intermediate Similarity NPC474572
0.7474 Intermediate Similarity NPC477445

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477495 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
0.8 Intermediate Similarity NPD1700 Approved
0.7586 Intermediate Similarity NPD5777 Approved
0.7524 Intermediate Similarity NPD6008 Approved
0.7473 Intermediate Similarity NPD6118 Approved
0.7473 Intermediate Similarity NPD6114 Approved
0.7473 Intermediate Similarity NPD6697 Approved
0.7473 Intermediate Similarity NPD6115 Approved
0.7363 Intermediate Similarity NPD6116 Phase 1
0.7264 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD6117 Approved
0.7222 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3702 Approved
0.7143 Intermediate Similarity NPD3703 Phase 2
0.713 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.6937 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6402 Approved
0.6881 Remote Similarity NPD5739 Approved
0.6881 Remote Similarity NPD6675 Approved
0.6881 Remote Similarity NPD7128 Approved
0.6863 Remote Similarity NPD8035 Phase 2
0.6863 Remote Similarity NPD8034 Phase 2
0.6847 Remote Similarity NPD6373 Approved
0.6847 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6847 Remote Similarity NPD6372 Approved
0.6814 Remote Similarity NPD8297 Approved
0.6813 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6813 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6757 Remote Similarity NPD7320 Approved
0.6757 Remote Similarity NPD6881 Approved
0.6757 Remote Similarity NPD6899 Approved
0.6754 Remote Similarity NPD4632 Approved
0.6726 Remote Similarity NPD6649 Approved
0.6726 Remote Similarity NPD6650 Approved
0.6703 Remote Similarity NPD4244 Approved
0.6703 Remote Similarity NPD4245 Approved
0.6701 Remote Similarity NPD1779 Approved
0.6701 Remote Similarity NPD1780 Approved
0.6695 Remote Similarity NPD6319 Approved
0.6667 Remote Similarity NPD5697 Approved
0.6667 Remote Similarity NPD7604 Phase 2
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD5360 Phase 3
0.6667 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6637 Remote Similarity NPD7102 Approved
0.6637 Remote Similarity NPD7290 Approved
0.6637 Remote Similarity NPD6883 Approved
0.663 Remote Similarity NPD6081 Approved
0.6612 Remote Similarity NPD7492 Approved
0.6593 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6593 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6593 Remote Similarity NPD3698 Phase 2
0.6585 Remote Similarity NPD7736 Approved
0.6581 Remote Similarity NPD6009 Approved
0.6579 Remote Similarity NPD8130 Phase 1
0.6579 Remote Similarity NPD6847 Approved
0.6579 Remote Similarity NPD6869 Approved
0.6579 Remote Similarity NPD6617 Approved
0.6557 Remote Similarity NPD7507 Approved
0.6557 Remote Similarity NPD6616 Approved
0.6555 Remote Similarity NPD6054 Approved
0.6555 Remote Similarity NPD6059 Approved
0.6549 Remote Similarity NPD6012 Approved
0.6549 Remote Similarity NPD6013 Approved
0.6549 Remote Similarity NPD6014 Approved
0.6532 Remote Similarity NPD7319 Approved
0.6522 Remote Similarity NPD6882 Approved
0.6504 Remote Similarity NPD8293 Discontinued
0.6504 Remote Similarity NPD7078 Approved
0.65 Remote Similarity NPD5983 Phase 2
0.65 Remote Similarity NPD6921 Approved
0.6476 Remote Similarity NPD6399 Phase 3
0.6466 Remote Similarity NPD8133 Approved
0.646 Remote Similarity NPD6011 Approved
0.6446 Remote Similarity NPD6370 Approved
0.6444 Remote Similarity NPD4224 Phase 2
0.6436 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6928 Phase 2
0.6423 Remote Similarity NPD6336 Discontinued
0.6413 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6408 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6404 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6389 Remote Similarity NPD4755 Approved
0.6373 Remote Similarity NPD7146 Approved
0.6373 Remote Similarity NPD7521 Approved
0.6373 Remote Similarity NPD5330 Approved
0.6373 Remote Similarity NPD6684 Approved
0.6373 Remote Similarity NPD7334 Approved
0.6373 Remote Similarity NPD6409 Approved
0.6364 Remote Similarity NPD6016 Approved
0.6364 Remote Similarity NPD6015 Approved
0.6344 Remote Similarity NPD4789 Approved
0.6333 Remote Similarity NPD7516 Approved
0.633 Remote Similarity NPD7638 Approved
0.6321 Remote Similarity NPD8171 Discontinued
0.6311 Remote Similarity NPD5988 Approved
0.6303 Remote Similarity NPD7115 Discovery
0.6277 Remote Similarity NPD4758 Discontinued
0.6273 Remote Similarity NPD5285 Approved
0.6273 Remote Similarity NPD5286 Approved
0.6273 Remote Similarity NPD4700 Approved
0.6273 Remote Similarity NPD7640 Approved
0.6273 Remote Similarity NPD4696 Approved
0.6273 Remote Similarity NPD7639 Approved
0.6262 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6262 Remote Similarity NPD6001 Approved
0.6262 Remote Similarity NPD7900 Approved
0.625 Remote Similarity NPD7327 Approved
0.625 Remote Similarity NPD7328 Approved
0.625 Remote Similarity NPD6903 Approved
0.6239 Remote Similarity NPD6084 Phase 2
0.6239 Remote Similarity NPD6083 Phase 2
0.6228 Remote Similarity NPD6412 Phase 2
0.6224 Remote Similarity NPD5364 Discontinued
0.6218 Remote Similarity NPD6940 Discontinued
0.6218 Remote Similarity NPD6274 Approved
0.6214 Remote Similarity NPD6098 Approved
0.6207 Remote Similarity NPD4634 Approved
0.6198 Remote Similarity NPD7101 Approved
0.6198 Remote Similarity NPD7100 Approved
0.619 Remote Similarity NPD6080 Approved
0.619 Remote Similarity NPD6904 Approved
0.619 Remote Similarity NPD6673 Approved
0.6182 Remote Similarity NPD5696 Approved
0.6167 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6161 Remote Similarity NPD5211 Phase 2
0.6161 Remote Similarity NPD5226 Approved
0.6161 Remote Similarity NPD4633 Approved
0.6161 Remote Similarity NPD5225 Approved
0.6161 Remote Similarity NPD7632 Discontinued
0.6161 Remote Similarity NPD5224 Approved
0.6154 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6126 Remote Similarity NPD8418 Phase 2
0.6116 Remote Similarity NPD6335 Approved
0.6106 Remote Similarity NPD5174 Approved
0.6106 Remote Similarity NPD5175 Approved
0.6098 Remote Similarity NPD6909 Approved
0.6098 Remote Similarity NPD6908 Approved
0.6095 Remote Similarity NPD5737 Approved
0.6095 Remote Similarity NPD6672 Approved
0.6091 Remote Similarity NPD7902 Approved
0.6078 Remote Similarity NPD3669 Approved
0.6078 Remote Similarity NPD4788 Approved
0.6078 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5223 Approved
0.6063 Remote Similarity NPD6033 Approved
0.6061 Remote Similarity NPD3671 Phase 1
0.6061 Remote Similarity NPD4802 Phase 2
0.6061 Remote Similarity NPD4238 Approved
0.6055 Remote Similarity NPD5695 Phase 3
0.6053 Remote Similarity NPD5141 Approved
0.6038 Remote Similarity NPD5328 Approved
0.6033 Remote Similarity NPD6317 Approved
0.6019 Remote Similarity NPD4202 Approved
0.6 Remote Similarity NPD4787 Phase 1
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD8328 Phase 3
0.5984 Remote Similarity NPD6314 Approved
0.5984 Remote Similarity NPD6313 Approved
0.5968 Remote Similarity NPD8296 Approved
0.5968 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5968 Remote Similarity NPD8335 Approved
0.5968 Remote Similarity NPD8378 Approved
0.5968 Remote Similarity NPD8380 Approved
0.5968 Remote Similarity NPD8379 Approved
0.5965 Remote Similarity NPD4754 Approved
0.5963 Remote Similarity NPD7748 Approved
0.5943 Remote Similarity NPD5208 Approved
0.5926 Remote Similarity NPD6079 Approved
0.5926 Remote Similarity NPD5693 Phase 1
0.5926 Remote Similarity NPD6050 Approved
0.5913 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5913 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5897 Remote Similarity NPD4730 Approved
0.5897 Remote Similarity NPD5128 Approved
0.5897 Remote Similarity NPD4729 Approved
0.5887 Remote Similarity NPD8294 Approved
0.5887 Remote Similarity NPD8377 Approved
0.5856 Remote Similarity NPD4697 Phase 3
0.5849 Remote Similarity NPD3573 Approved
0.584 Remote Similarity NPD8033 Approved
0.5833 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5833 Remote Similarity NPD5207 Approved
0.5833 Remote Similarity NPD6053 Discontinued
0.5833 Remote Similarity NPD5692 Phase 3
0.5798 Remote Similarity NPD5247 Approved
0.5798 Remote Similarity NPD5248 Approved
0.5798 Remote Similarity NPD5249 Phase 3
0.5798 Remote Similarity NPD5250 Approved
0.5798 Remote Similarity NPD5251 Approved
0.5789 Remote Similarity NPD229 Approved
0.578 Remote Similarity NPD5694 Approved
0.578 Remote Similarity NPD5284 Approved
0.578 Remote Similarity NPD7515 Phase 2
0.578 Remote Similarity NPD5281 Approved
0.5766 Remote Similarity NPD7991 Discontinued
0.5755 Remote Similarity NPD3618 Phase 1

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3360244
ZINC  

Physicochemical Properties

Molecular Weight:  488.28
ALogP:  -0.2429
MLogP:  3.77
XLogP:  3.312
# Rotatable Bonds:  13
Polar Surface Area:  99.27
# H-Bond Aceptor:  7
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  35

Download Data

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