Natural Product: NPC292133

Natural Product ID:  NPC292133
Common Name:   20,21,22,23-Tetrahydro-23-Oxoazadirone
IUPAC Name:   [(5R,7R,8R,9R,10R,13S,17S)-4,4,8,10,13-pentamethyl-3-oxo-17-[(3S)-5-oxooxolan-3-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
Synonyms:  
Molecular Formula:   C28H38O5
Standard InCHIKey:  LXNMRBHGHQWYSQ-PLNCUQKMSA-N
Standard InCHI:  InChI=1S/C28H38O5/c1-16(29)33-23-14-21-25(2,3)22(30)10-12-27(21,5)20-9-11-26(4)18(17-13-24(31)32-15-17)7-8-19(26)28(20,23)6/h8,10,12,17-18,20-21,23H,7,9,11,13-15H2,1-6H3/t17-,18+,20-,21+,23-,26+,27-,28+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@@H]2[C@]([C@@H]3[C@]1(C)C1=CC[C@H]([C@]1(C)CC3)[C@H]1COC(=O)C1)(C)C=CC(=O)C2(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
NPO4406 Azadirachta indica Species Meliaceae Eukaryota Seeds PMID[21381696]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT116 Cell Line HL-60 Homo sapiens IC50 > 20000 nM 21381696
NPT81 Cell Line A549 Homo sapiens IC50 > 20000 nM 21381696
NPT2 Others Unspecified IC50 > 20000 nM 21381696
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 > 20000 nM 21381696
NPT591 Individual Protein Glycogen synthase kinase-3 beta Homo sapiens IC50 = 3000 nM 25905468
NPT71 Cell Line HEK293 Homo sapiens IC50 = 31200 nM 25905468
NPT2615 Cell Line HEK-293T Homo sapiens IC50 > 40000 nM 25905468
NPT2170 Cell Line RKO Homo sapiens IC50 = 26400 nM 25905468
NPT660 Cell Line SW480 Homo sapiens IC50 = 11200 nM 25905468
NPT393 Cell Line HCT-116 Homo sapiens IC50 = 24400 nM 25905468
NPT2 Others Unspecified IC50 = 31700 nM 25905468

  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 NPC292133 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
0.9556 High Similarity NPC79117
0.9175 High Similarity NPC189616
0.9091 High Similarity NPC469844
0.8947 High Similarity NPC23680
0.8878 High Similarity NPC264048
0.875 High Similarity NPC226986
0.8725 High Similarity NPC5284
0.8725 High Similarity NPC239097
0.8723 High Similarity NPC474185
0.8687 High Similarity NPC36321
0.866 High Similarity NPC252295
0.8617 High Similarity NPC218301
0.8557 High Similarity NPC84335
0.8557 High Similarity NPC38530
0.8542 High Similarity NPC274417
0.8511 High Similarity NPC475965
0.8511 High Similarity NPC152467
0.8511 High Similarity NPC474842
0.8469 Intermediate Similarity NPC176845
0.8469 Intermediate Similarity NPC114274
0.8454 Intermediate Similarity NPC111684
0.8454 Intermediate Similarity NPC58052
0.8454 Intermediate Similarity NPC307164
0.8447 Intermediate Similarity NPC41405
0.8438 Intermediate Similarity NPC159410
0.8438 Intermediate Similarity NPC269729
0.8431 Intermediate Similarity NPC220974
0.8416 Intermediate Similarity NPC228669
0.8416 Intermediate Similarity NPC255309
0.8416 Intermediate Similarity NPC164835
0.8411 Intermediate Similarity NPC284068
0.8404 Intermediate Similarity NPC73995
0.84 Intermediate Similarity NPC136289
0.8384 Intermediate Similarity NPC470906
0.837 Intermediate Similarity NPC470223
0.8367 Intermediate Similarity NPC108078
0.8351 Intermediate Similarity NPC317586
0.8351 Intermediate Similarity NPC470016
0.8333 Intermediate Similarity NPC107674
0.8333 Intermediate Similarity NPC141497
0.8333 Intermediate Similarity NPC170220
0.8333 Intermediate Similarity NPC470224
0.8333 Intermediate Similarity NPC96377
0.8318 Intermediate Similarity NPC243981
0.8317 Intermediate Similarity NPC254202
0.8316 Intermediate Similarity NPC328141
0.83 Intermediate Similarity NPC476240
0.83 Intermediate Similarity NPC310981
0.83 Intermediate Similarity NPC81530
0.83 Intermediate Similarity NPC476223
0.83 Intermediate Similarity NPC224720
0.8298 Intermediate Similarity NPC28227
0.8298 Intermediate Similarity NPC215831
0.8286 Intermediate Similarity NPC470960
0.828 Intermediate Similarity NPC471042
0.828 Intermediate Similarity NPC264127
0.8265 Intermediate Similarity NPC471039
0.8261 Intermediate Similarity NPC100391
0.8247 Intermediate Similarity NPC294266
0.8247 Intermediate Similarity NPC56525
0.8247 Intermediate Similarity NPC166906
0.8247 Intermediate Similarity NPC471040
0.8242 Intermediate Similarity NPC100297
0.8229 Intermediate Similarity NPC86266
0.8229 Intermediate Similarity NPC110657
0.8229 Intermediate Similarity NPC212301
0.8218 Intermediate Similarity NPC271266
0.8218 Intermediate Similarity NPC308351
0.8211 Intermediate Similarity NPC119416
0.8208 Intermediate Similarity NPC234042
0.8208 Intermediate Similarity NPC71348
0.8208 Intermediate Similarity NPC152117
0.82 Intermediate Similarity NPC475392
0.82 Intermediate Similarity NPC475385
0.82 Intermediate Similarity NPC476274
0.82 Intermediate Similarity NPC476303
0.82 Intermediate Similarity NPC475202
0.8191 Intermediate Similarity NPC30421
0.819 Intermediate Similarity NPC197428
0.8182 Intermediate Similarity NPC473456
0.8182 Intermediate Similarity NPC216904
0.8163 Intermediate Similarity NPC469599
0.8137 Intermediate Similarity NPC176883
0.8137 Intermediate Similarity NPC140723
0.8132 Intermediate Similarity NPC475665
0.8131 Intermediate Similarity NPC255017
0.8125 Intermediate Similarity NPC471896
0.8105 Intermediate Similarity NPC472220
0.8105 Intermediate Similarity NPC474845
0.8105 Intermediate Similarity NPC474677
0.8105 Intermediate Similarity NPC97884
0.81 Intermediate Similarity NPC112753
0.81 Intermediate Similarity NPC471582
0.81 Intermediate Similarity NPC478056
0.81 Intermediate Similarity NPC275439
0.81 Intermediate Similarity NPC271387
0.81 Intermediate Similarity NPC194196
0.81 Intermediate Similarity NPC153792
0.8091 Intermediate Similarity NPC475520
0.8091 Intermediate Similarity NPC161065
0.8085 Intermediate Similarity NPC195640
0.8081 Intermediate Similarity NPC106425
0.8081 Intermediate Similarity NPC96859
0.8081 Intermediate Similarity NPC95565
0.8081 Intermediate Similarity NPC328162
0.8081 Intermediate Similarity NPC322063
0.8081 Intermediate Similarity NPC122324
0.8081 Intermediate Similarity NPC151725
0.8081 Intermediate Similarity NPC305483
0.8077 Intermediate Similarity NPC475294
0.8077 Intermediate Similarity NPC44063
0.8065 Intermediate Similarity NPC139566
0.8061 Intermediate Similarity NPC473280
0.8061 Intermediate Similarity NPC49670
0.8061 Intermediate Similarity NPC473431
0.8061 Intermediate Similarity NPC471078
0.8061 Intermediate Similarity NPC473435
0.8061 Intermediate Similarity NPC477130
0.8061 Intermediate Similarity NPC477129
0.8058 Intermediate Similarity NPC235889
0.8058 Intermediate Similarity NPC471293
0.8041 Intermediate Similarity NPC26888
0.8037 Intermediate Similarity NPC69291
0.8021 Intermediate Similarity NPC288699
0.8021 Intermediate Similarity NPC177141
0.8021 Intermediate Similarity NPC473039
0.8021 Intermediate Similarity NPC474679
0.802 Intermediate Similarity NPC88198
0.802 Intermediate Similarity NPC316964
0.802 Intermediate Similarity NPC471041
0.802 Intermediate Similarity NPC112167
0.8018 Intermediate Similarity NPC241192
0.8 Intermediate Similarity NPC189075
0.8 Intermediate Similarity NPC473720
0.8 Intermediate Similarity NPC275539
0.8 Intermediate Similarity NPC469845
0.8 Intermediate Similarity NPC474343
0.8 Intermediate Similarity NPC167877
0.8 Intermediate Similarity NPC470269
0.8 Intermediate Similarity NPC19412
0.8 Intermediate Similarity NPC2049
0.8 Intermediate Similarity NPC110937
0.7982 Intermediate Similarity NPC302471
0.7982 Intermediate Similarity NPC270958
0.7981 Intermediate Similarity NPC470267
0.7981 Intermediate Similarity NPC102352
0.7981 Intermediate Similarity NPC181265
0.798 Intermediate Similarity NPC33473
0.798 Intermediate Similarity NPC473170
0.798 Intermediate Similarity NPC255809
0.798 Intermediate Similarity NPC139459
0.7979 Intermediate Similarity NPC177932
0.7979 Intermediate Similarity NPC110405
0.7979 Intermediate Similarity NPC323765
0.7963 Intermediate Similarity NPC25909
0.7963 Intermediate Similarity NPC52634
0.7961 Intermediate Similarity NPC471364
0.7961 Intermediate Similarity NPC471365
0.7961 Intermediate Similarity NPC471005
0.7961 Intermediate Similarity NPC282233
0.7961 Intermediate Similarity NPC476237
0.7961 Intermediate Similarity NPC33973
0.7961 Intermediate Similarity NPC132395
0.7961 Intermediate Similarity NPC95585
0.7961 Intermediate Similarity NPC70967
0.7959 Intermediate Similarity NPC134826
0.7959 Intermediate Similarity NPC229976
0.7959 Intermediate Similarity NPC294263
0.7959 Intermediate Similarity NPC469315
0.7946 Intermediate Similarity NPC204731
0.7944 Intermediate Similarity NPC43775
0.7941 Intermediate Similarity NPC469327
0.7941 Intermediate Similarity NPC473514
0.7941 Intermediate Similarity NPC194028
0.7941 Intermediate Similarity NPC124211
0.7941 Intermediate Similarity NPC168319
0.7938 Intermediate Similarity NPC111585
0.7938 Intermediate Similarity NPC148414
0.7938 Intermediate Similarity NPC85173
0.7938 Intermediate Similarity NPC126993
0.7938 Intermediate Similarity NPC175628
0.7935 Intermediate Similarity NPC474955
0.7925 Intermediate Similarity NPC258543
0.7925 Intermediate Similarity NPC112457
0.7925 Intermediate Similarity NPC2766
0.7925 Intermediate Similarity NPC241927
0.7921 Intermediate Similarity NPC477854
0.7921 Intermediate Similarity NPC471717
0.7917 Intermediate Similarity NPC80335
0.7917 Intermediate Similarity NPC477128
0.7917 Intermediate Similarity NPC226863
0.7917 Intermediate Similarity NPC328539
0.7909 Intermediate Similarity NPC470959
0.7909 Intermediate Similarity NPC471854
0.7909 Intermediate Similarity NPC476965
0.7905 Intermediate Similarity NPC473037
0.7905 Intermediate Similarity NPC110496
0.7905 Intermediate Similarity NPC144854
0.7905 Intermediate Similarity NPC3316
0.7905 Intermediate Similarity NPC59530

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC292133 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
0.8515 High Similarity NPD6008 Approved
0.8351 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.8229 Intermediate Similarity NPD6079 Approved
0.8191 Intermediate Similarity NPD3573 Approved
0.8173 Intermediate Similarity NPD6899 Approved
0.8173 Intermediate Similarity NPD6881 Approved
0.8144 Intermediate Similarity NPD6399 Phase 3
0.8113 Intermediate Similarity NPD6649 Approved
0.8113 Intermediate Similarity NPD6650 Approved
0.8105 Intermediate Similarity NPD6672 Approved
0.8105 Intermediate Similarity NPD6903 Approved
0.8105 Intermediate Similarity NPD5737 Approved
0.8085 Intermediate Similarity NPD7521 Approved
0.8085 Intermediate Similarity NPD5330 Approved
0.8085 Intermediate Similarity NPD7146 Approved
0.8085 Intermediate Similarity NPD6684 Approved
0.8085 Intermediate Similarity NPD6409 Approved
0.8085 Intermediate Similarity NPD7334 Approved
0.8077 Intermediate Similarity NPD5697 Approved
0.8061 Intermediate Similarity NPD7900 Approved
0.8061 Intermediate Similarity NPD7901 Clinical (unspecified phase)
0.8021 Intermediate Similarity NPD5328 Approved
0.8019 Intermediate Similarity NPD7290 Approved
0.8019 Intermediate Similarity NPD6883 Approved
0.8019 Intermediate Similarity NPD7102 Approved
0.8 Intermediate Similarity NPD6011 Approved
0.8 Intermediate Similarity NPD7320 Approved
0.7981 Intermediate Similarity NPD7128 Approved
0.7981 Intermediate Similarity NPD6675 Approved
0.7981 Intermediate Similarity NPD6402 Approved
0.7981 Intermediate Similarity NPD5739 Approved
0.7979 Intermediate Similarity NPD1694 Approved
0.7944 Intermediate Similarity NPD6869 Approved
0.7944 Intermediate Similarity NPD6847 Approved
0.7944 Intermediate Similarity NPD8130 Phase 1
0.7944 Intermediate Similarity NPD6617 Approved
0.7925 Intermediate Similarity NPD6372 Approved
0.7925 Intermediate Similarity NPD6013 Approved
0.7925 Intermediate Similarity NPD6014 Approved
0.7925 Intermediate Similarity NPD6012 Approved
0.7925 Intermediate Similarity NPD6373 Approved
0.7917 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.79 Intermediate Similarity NPD5221 Approved
0.79 Intermediate Similarity NPD5222 Approved
0.79 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7748 Approved
0.7879 Intermediate Similarity NPD6001 Approved
0.787 Intermediate Similarity NPD6882 Approved
0.787 Intermediate Similarity NPD8297 Approved
0.7822 Intermediate Similarity NPD5173 Approved
0.7822 Intermediate Similarity NPD7902 Approved
0.7755 Intermediate Similarity NPD5207 Approved
0.7736 Intermediate Similarity NPD5701 Approved
0.7723 Intermediate Similarity NPD4697 Phase 3
0.7708 Intermediate Similarity NPD3618 Phase 1
0.7677 Intermediate Similarity NPD7515 Phase 2
0.767 Intermediate Similarity NPD4696 Approved
0.767 Intermediate Similarity NPD5285 Approved
0.767 Intermediate Similarity NPD5286 Approved
0.7658 Intermediate Similarity NPD6868 Approved
0.7653 Intermediate Similarity NPD6904 Approved
0.7653 Intermediate Similarity NPD6673 Approved
0.7653 Intermediate Similarity NPD6080 Approved
0.7632 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7596 Intermediate Similarity NPD5223 Approved
0.7589 Intermediate Similarity NPD7115 Discovery
0.7524 Intermediate Similarity NPD5224 Approved
0.7524 Intermediate Similarity NPD5211 Phase 2
0.7524 Intermediate Similarity NPD5225 Approved
0.7524 Intermediate Similarity NPD5226 Approved
0.7524 Intermediate Similarity NPD4633 Approved
0.7522 Intermediate Similarity NPD6335 Approved
0.75 Intermediate Similarity NPD4786 Approved
0.7477 Intermediate Similarity NPD4632 Approved
0.7476 Intermediate Similarity NPD4755 Approved
0.7476 Intermediate Similarity NPD6084 Phase 2
0.7476 Intermediate Similarity NPD6083 Phase 2
0.7456 Intermediate Similarity NPD7101 Approved
0.7456 Intermediate Similarity NPD7100 Approved
0.7453 Intermediate Similarity NPD5175 Approved
0.7453 Intermediate Similarity NPD5174 Approved
0.7436 Intermediate Similarity NPD7492 Approved
0.7434 Intermediate Similarity NPD6317 Approved
0.7404 Intermediate Similarity NPD5696 Approved
0.7391 Intermediate Similarity NPD6054 Approved
0.7383 Intermediate Similarity NPD5141 Approved
0.7374 Intermediate Similarity NPD5208 Approved
0.7373 Intermediate Similarity NPD6616 Approved
0.7368 Intermediate Similarity NPD6313 Approved
0.7368 Intermediate Similarity NPD6314 Approved
0.7347 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD6098 Approved
0.7345 Intermediate Similarity NPD6274 Approved
0.7333 Intermediate Similarity NPD4700 Approved
0.7327 Intermediate Similarity NPD6050 Approved
0.7327 Intermediate Similarity NPD5694 Approved
0.7327 Intermediate Similarity NPD8034 Phase 2
0.7327 Intermediate Similarity NPD8035 Phase 2
0.7327 Intermediate Similarity NPD5693 Phase 1
0.732 Intermediate Similarity NPD3668 Phase 3
0.7311 Intermediate Similarity NPD7078 Approved
0.7292 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD3667 Approved
0.729 Intermediate Similarity NPD6052 Approved
0.7282 Intermediate Similarity NPD5695 Phase 3
0.7281 Intermediate Similarity NPD6009 Approved
0.7265 Intermediate Similarity NPD6370 Approved
0.7255 Intermediate Similarity NPD4202 Approved
0.725 Intermediate Similarity NPD7736 Approved
0.7241 Intermediate Similarity NPD6319 Approved
0.7238 Intermediate Similarity NPD7638 Approved
0.7228 Intermediate Similarity NPD5692 Phase 3
0.7203 Intermediate Similarity NPD7604 Phase 2
0.7182 Intermediate Similarity NPD5168 Approved
0.7182 Intermediate Similarity NPD4729 Approved
0.7182 Intermediate Similarity NPD4730 Approved
0.7179 Intermediate Similarity NPD6016 Approved
0.7179 Intermediate Similarity NPD6015 Approved
0.7179 Intermediate Similarity NPD5983 Phase 2
0.717 Intermediate Similarity NPD7640 Approved
0.717 Intermediate Similarity NPD7639 Approved
0.7157 Intermediate Similarity NPD5281 Approved
0.7157 Intermediate Similarity NPD6411 Approved
0.7157 Intermediate Similarity NPD5284 Approved
0.7143 Intermediate Similarity NPD3665 Phase 1
0.7143 Intermediate Similarity NPD3133 Approved
0.7143 Intermediate Similarity NPD3666 Approved
0.713 Intermediate Similarity NPD4754 Approved
0.7119 Intermediate Similarity NPD5988 Approved
0.7115 Intermediate Similarity NPD5210 Approved
0.7115 Intermediate Similarity NPD4629 Approved
0.7115 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD6059 Approved
0.7091 Intermediate Similarity NPD6614 Approved
0.7083 Intermediate Similarity NPD6336 Discontinued
0.7075 Intermediate Similarity NPD4225 Approved
0.7071 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD5249 Phase 3
0.7054 Intermediate Similarity NPD5248 Approved
0.7054 Intermediate Similarity NPD5250 Approved
0.7054 Intermediate Similarity NPD5169 Approved
0.7054 Intermediate Similarity NPD5251 Approved
0.7054 Intermediate Similarity NPD5247 Approved
0.7054 Intermediate Similarity NPD5134 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD5135 Approved
0.7054 Intermediate Similarity NPD4634 Approved
0.7048 Intermediate Similarity NPD7732 Phase 3
0.7034 Intermediate Similarity NPD6909 Approved
0.7034 Intermediate Similarity NPD6908 Approved
0.7027 Intermediate Similarity NPD5128 Approved
0.7025 Intermediate Similarity NPD8293 Discontinued
0.7 Intermediate Similarity NPD4767 Approved
0.7 Intermediate Similarity NPD4768 Approved
0.6991 Remote Similarity NPD5127 Approved
0.6991 Remote Similarity NPD5215 Approved
0.6991 Remote Similarity NPD5216 Approved
0.6991 Remote Similarity NPD5217 Approved
0.6961 Remote Similarity NPD4753 Phase 2
0.6961 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6961 Remote Similarity NPD6101 Approved
0.6961 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6952 Remote Similarity NPD5654 Approved
0.6939 Remote Similarity NPD4223 Phase 3
0.6939 Remote Similarity NPD4221 Approved
0.6907 Remote Similarity NPD4695 Discontinued
0.69 Remote Similarity NPD5329 Approved
0.6848 Remote Similarity NPD4747 Approved
0.6848 Remote Similarity NPD4691 Approved
0.6832 Remote Similarity NPD5279 Phase 3
0.6832 Remote Similarity NPD5690 Phase 2
0.6822 Remote Similarity NPD5959 Approved
0.681 Remote Similarity NPD5167 Approved
0.6809 Remote Similarity NPD4058 Approved
0.68 Remote Similarity NPD4197 Approved
0.6796 Remote Similarity NPD6051 Approved
0.6786 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6739 Remote Similarity NPD4137 Phase 3
0.6729 Remote Similarity NPD7614 Phase 1
0.6727 Remote Similarity NPD7632 Discontinued
0.6701 Remote Similarity NPD3617 Approved
0.6694 Remote Similarity NPD6033 Approved
0.6667 Remote Similarity NPD4690 Approved
0.6667 Remote Similarity NPD5205 Approved
0.6667 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD6117 Approved
0.6667 Remote Similarity NPD4623 Approved
0.6667 Remote Similarity NPD4688 Approved
0.6667 Remote Similarity NPD4519 Discontinued
0.6667 Remote Similarity NPD4689 Approved
0.6667 Remote Similarity NPD4693 Phase 3
0.6667 Remote Similarity NPD7507 Approved
0.6639 Remote Similarity NPD8328 Phase 3
0.6638 Remote Similarity NPD6053 Discontinued
0.6637 Remote Similarity NPD6412 Phase 2
0.6633 Remote Similarity NPD4195 Approved
0.6632 Remote Similarity NPD4687 Approved
0.6632 Remote Similarity NPD5733 Approved
0.6609 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6604 Remote Similarity NPD5778 Approved

Structure

External Identifiers

PubChem CID   52952011
ChEMBL   CHEMBL1774404
ZINC  

Physicochemical Properties

Molecular Weight:  454.27
ALogP:  1.9578
MLogP:  3.99
XLogP:  4.32
# Rotatable Bonds:  9
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  33

Download Data

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Biological Activities  
Similar NPs/Drugs