Natural Product: NPC476359

Natural Product ID:  NPC476359
Common Name:   Ocophylol B
IUPAC Name:   (1S,5S,6R,7R,8R)-7-(3,4-dimethoxyphenyl)-8-hydroxy-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-en-2-one
Synonyms:  
Molecular Formula:   C21H26O5
Standard InCHIKey:  YYEUHNBQISBESB-VVUBONQESA-N
Standard InCHI:  InChI=1S/C21H26O5/c1-6-7-14-11-21(26-5)12(2)17(18(19(14)22)20(21)23)13-8-9-15(24-3)16(10-13)25-4/h6,8-12,17-18,20,23H,1,7H2,2-5H3/t12-,17+,18-,20-,21-/m1/s1
Canonical SMILES:  C=CCC1=C[C@]2(OC)[C@@H]([C@@H](C1=O)[C@@H]([C@H]2C)c1ccc(c(c1)OC)OC)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
NPO19526 Pleurothyrium cinereum Species Lauraceae Eukaryota Leaves PMID[19880317]
NPO26326 Ocotea macrophylla Species Lauraceae Eukaryota Leaves PMID[19880317]
NPO27964 Nectandra amazonum Species Lauraceae Eukaryota Leaves PMID[19880317]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT325 Individual Protein Cyclooxygenase-2 Ovis aries IC50 = 288000 nM 18053715
NPT2 Others Unspecified IC50 = 3030 nM 24012378
NPT2 Others Unspecified IC50 = 189000 nM 9644086
NPT2 Others Unspecified IC50 = 38800 nM 19654408
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries IC50 = 94900 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 = 725000 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Ratio IC50 = 0.33 19721073

  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 NPC476359 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
1.0 High Similarity NPC476338
0.9653 High Similarity NPC476335
0.9521 High Similarity NPC476364
0.9329 High Similarity NPC476340
0.9205 High Similarity NPC476337
0.891 High Similarity NPC476277
0.8867 High Similarity NPC28724
0.8784 High Similarity NPC476336
0.8716 High Similarity NPC476362
0.8716 High Similarity NPC30890
0.8707 High Similarity NPC239608
0.8707 High Similarity NPC46161
0.8662 High Similarity NPC327410
0.8562 High Similarity NPC327225
0.8562 High Similarity NPC322021
0.8562 High Similarity NPC474784
0.8503 High Similarity NPC51681
0.8487 Intermediate Similarity NPC12854
0.8481 Intermediate Similarity NPC476244
0.8431 Intermediate Similarity NPC178048
0.8431 Intermediate Similarity NPC62354
0.8421 Intermediate Similarity NPC474903
0.8387 Intermediate Similarity NPC25127
0.8377 Intermediate Similarity NPC151425
0.8367 Intermediate Similarity NPC325625
0.8345 Intermediate Similarity NPC244876
0.8333 Intermediate Similarity NPC15743
0.8322 Intermediate Similarity NPC339621
0.8322 Intermediate Similarity NPC233961
0.8322 Intermediate Similarity NPC195292
0.8322 Intermediate Similarity NPC280399
0.8322 Intermediate Similarity NPC142985
0.8301 Intermediate Similarity NPC472567
0.8291 Intermediate Similarity NPC475095
0.8291 Intermediate Similarity NPC179914
0.8291 Intermediate Similarity NPC472565
0.8269 Intermediate Similarity NPC287504
0.8267 Intermediate Similarity NPC472564
0.8264 Intermediate Similarity NPC469480
0.8255 Intermediate Similarity NPC476334
0.825 Intermediate Similarity NPC206815
0.8239 Intermediate Similarity NPC472961
0.8239 Intermediate Similarity NPC293641
0.8239 Intermediate Similarity NPC474936
0.8239 Intermediate Similarity NPC20287
0.8239 Intermediate Similarity NPC12022
0.8239 Intermediate Similarity NPC472962
0.8239 Intermediate Similarity NPC20404
0.8235 Intermediate Similarity NPC98009
0.8225 Intermediate Similarity NPC299855
0.8225 Intermediate Similarity NPC96194
0.8219 Intermediate Similarity NPC37065
0.8217 Intermediate Similarity NPC476363
0.8207 Intermediate Similarity NPC50763
0.8207 Intermediate Similarity NPC239302
0.8194 Intermediate Similarity NPC163002
0.8194 Intermediate Similarity NPC137427
0.8194 Intermediate Similarity NPC123196
0.8194 Intermediate Similarity NPC475379
0.8194 Intermediate Similarity NPC215941
0.8194 Intermediate Similarity NPC319282
0.8194 Intermediate Similarity NPC275724
0.8194 Intermediate Similarity NPC244246
0.8194 Intermediate Similarity NPC65935
0.8194 Intermediate Similarity NPC311419
0.8182 Intermediate Similarity NPC278308
0.8176 Intermediate Similarity NPC189704
0.817 Intermediate Similarity NPC30720
0.8165 Intermediate Similarity NPC478223
0.8163 Intermediate Similarity NPC139519
0.8163 Intermediate Similarity NPC470990
0.8137 Intermediate Similarity NPC476011
0.8133 Intermediate Similarity NPC78987
0.8133 Intermediate Similarity NPC82336
0.8129 Intermediate Similarity NPC476067
0.8129 Intermediate Similarity NPC475121
0.8101 Intermediate Similarity NPC180901
0.8101 Intermediate Similarity NPC300757
0.8101 Intermediate Similarity NPC475484
0.8098 Intermediate Similarity NPC130730
0.8098 Intermediate Similarity NPC301910
0.8095 Intermediate Similarity NPC145769
0.8092 Intermediate Similarity NPC50954
0.8092 Intermediate Similarity NPC473090
0.8089 Intermediate Similarity NPC131121
0.8079 Intermediate Similarity NPC104956
0.8077 Intermediate Similarity NPC472279
0.8075 Intermediate Similarity NPC131905
0.8069 Intermediate Similarity NPC172673
0.8067 Intermediate Similarity NPC4796
0.8063 Intermediate Similarity NPC477410
0.8063 Intermediate Similarity NPC76211
0.8052 Intermediate Similarity NPC153620
0.8052 Intermediate Similarity NPC24257
0.8039 Intermediate Similarity NPC469683
0.8039 Intermediate Similarity NPC327052
0.8039 Intermediate Similarity NPC223185
0.8039 Intermediate Similarity NPC213900
0.8026 Intermediate Similarity NPC229218
0.8026 Intermediate Similarity NPC176030
0.8026 Intermediate Similarity NPC192597
0.8026 Intermediate Similarity NPC141817
0.8026 Intermediate Similarity NPC169214
0.8013 Intermediate Similarity NPC237441
0.8013 Intermediate Similarity NPC100675
0.8013 Intermediate Similarity NPC136649
0.8 Intermediate Similarity NPC21956
0.8 Intermediate Similarity NPC286919
0.8 Intermediate Similarity NPC78071
0.8 Intermediate Similarity NPC268602
0.8 Intermediate Similarity NPC304622
0.8 Intermediate Similarity NPC475663
0.8 Intermediate Similarity NPC1580
0.8 Intermediate Similarity NPC77598
0.7989 Intermediate Similarity NPC475299
0.7988 Intermediate Similarity NPC282551
0.7988 Intermediate Similarity NPC173292
0.7988 Intermediate Similarity NPC200726
0.7987 Intermediate Similarity NPC64230
0.7987 Intermediate Similarity NPC71638
0.7987 Intermediate Similarity NPC212697
0.7987 Intermediate Similarity NPC287495
0.7987 Intermediate Similarity NPC90431
0.7987 Intermediate Similarity NPC9370
0.7987 Intermediate Similarity NPC98356
0.7986 Intermediate Similarity NPC123722
0.7986 Intermediate Similarity NPC5018
0.7986 Intermediate Similarity NPC276466
0.7986 Intermediate Similarity NPC151167
0.7986 Intermediate Similarity NPC123228
0.7977 Intermediate Similarity NPC71385
0.7977 Intermediate Similarity NPC230670
0.7975 Intermediate Similarity NPC187491
0.7975 Intermediate Similarity NPC470340
0.7975 Intermediate Similarity NPC180944
0.7975 Intermediate Similarity NPC180388
0.7975 Intermediate Similarity NPC319200
0.7975 Intermediate Similarity NPC124038
0.7974 Intermediate Similarity NPC469615
0.7974 Intermediate Similarity NPC46880
0.7964 Intermediate Similarity NPC195972
0.7961 Intermediate Similarity NPC476842
0.7961 Intermediate Similarity NPC476840
0.7961 Intermediate Similarity NPC253722
0.7961 Intermediate Similarity NPC31751
0.7961 Intermediate Similarity NPC253481
0.7961 Intermediate Similarity NPC46180
0.7961 Intermediate Similarity NPC84273
0.7958 Intermediate Similarity NPC474691
0.7958 Intermediate Similarity NPC242372
0.7958 Intermediate Similarity NPC4181
0.7958 Intermediate Similarity NPC257976
0.7958 Intermediate Similarity NPC164778
0.795 Intermediate Similarity NPC187792
0.795 Intermediate Similarity NPC469384
0.7947 Intermediate Similarity NPC470855
0.7947 Intermediate Similarity NPC203351
0.7947 Intermediate Similarity NPC147379
0.7945 Intermediate Similarity NPC477694
0.7945 Intermediate Similarity NPC477705
0.7939 Intermediate Similarity NPC177362
0.7937 Intermediate Similarity NPC469474
0.7935 Intermediate Similarity NPC143892
0.7935 Intermediate Similarity NPC221383
0.7935 Intermediate Similarity NPC299090
0.7935 Intermediate Similarity NPC283081
0.7933 Intermediate Similarity NPC166184
0.7931 Intermediate Similarity NPC112708
0.7927 Intermediate Similarity NPC180586
0.7925 Intermediate Similarity NPC305710
0.7922 Intermediate Similarity NPC207732
0.7922 Intermediate Similarity NPC275278
0.7919 Intermediate Similarity NPC89504
0.7919 Intermediate Similarity NPC152209
0.7919 Intermediate Similarity NPC95485
0.7919 Intermediate Similarity NPC88065
0.7917 Intermediate Similarity NPC303680
0.7917 Intermediate Similarity NPC179777
0.7917 Intermediate Similarity NPC107739
0.7917 Intermediate Similarity NPC90128
0.7917 Intermediate Similarity NPC84076
0.7911 Intermediate Similarity NPC256406
0.7911 Intermediate Similarity NPC267091
0.7911 Intermediate Similarity NPC302783
0.7911 Intermediate Similarity NPC46882
0.7911 Intermediate Similarity NPC473201
0.7911 Intermediate Similarity NPC132990
0.7908 Intermediate Similarity NPC474966
0.7908 Intermediate Similarity NPC11314
0.7902 Intermediate Similarity NPC312404
0.7902 Intermediate Similarity NPC273686
0.7901 Intermediate Similarity NPC218471
0.7901 Intermediate Similarity NPC161947
0.7901 Intermediate Similarity NPC239818
0.7901 Intermediate Similarity NPC155302
0.7898 Intermediate Similarity NPC142876
0.7898 Intermediate Similarity NPC69430
0.7898 Intermediate Similarity NPC195763
0.7898 Intermediate Similarity NPC40290
0.7898 Intermediate Similarity NPC147224

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476359 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
0.7962 Intermediate Similarity NPD7028 Phase 2
0.7857 Intermediate Similarity NPD7685 Pre-registration
0.7716 Intermediate Similarity NPD3882 Suspended
0.7683 Intermediate Similarity NPD5494 Approved
0.7671 Intermediate Similarity NPD5647 Approved
0.764 Intermediate Similarity NPD1934 Approved
0.7636 Intermediate Similarity NPD8127 Discontinued
0.7619 Intermediate Similarity NPD9494 Approved
0.7613 Intermediate Similarity NPD4628 Phase 3
0.76 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD3620 Phase 2
0.7593 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7572 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD7199 Phase 2
0.7515 Intermediate Similarity NPD3818 Discontinued
0.75 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4110 Phase 3
0.7485 Intermediate Similarity NPD2801 Approved
0.7465 Intermediate Similarity NPD5536 Phase 2
0.7423 Intermediate Similarity NPD37 Approved
0.7419 Intermediate Similarity NPD5763 Approved
0.7419 Intermediate Similarity NPD5762 Approved
0.7407 Intermediate Similarity NPD4380 Phase 2
0.74 Intermediate Similarity NPD3027 Phase 3
0.7396 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD6166 Phase 2
0.7396 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD6273 Approved
0.7353 Intermediate Similarity NPD7473 Discontinued
0.7342 Intermediate Similarity NPD6190 Approved
0.7337 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD3817 Phase 2
0.7329 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD5735 Approved
0.732 Intermediate Similarity NPD6355 Discontinued
0.7305 Intermediate Similarity NPD5283 Phase 1
0.7297 Intermediate Similarity NPD1876 Approved
0.7289 Intermediate Similarity NPD4965 Approved
0.7289 Intermediate Similarity NPD4967 Phase 2
0.7289 Intermediate Similarity NPD4966 Approved
0.7278 Intermediate Similarity NPD6232 Discontinued
0.7273 Intermediate Similarity NPD5761 Phase 2
0.7273 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6653 Approved
0.7273 Intermediate Similarity NPD5760 Phase 2
0.7229 Intermediate Similarity NPD5978 Approved
0.7229 Intermediate Similarity NPD5977 Approved
0.7225 Intermediate Similarity NPD7074 Phase 3
0.7202 Intermediate Similarity NPD6234 Discontinued
0.7197 Intermediate Similarity NPD6004 Phase 3
0.7197 Intermediate Similarity NPD6005 Phase 3
0.7197 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6002 Phase 3
0.7197 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD1510 Phase 2
0.7179 Intermediate Similarity NPD2799 Discontinued
0.7179 Intermediate Similarity NPD7033 Discontinued
0.717 Intermediate Similarity NPD8166 Discontinued
0.7169 Intermediate Similarity NPD7819 Suspended
0.7168 Intermediate Similarity NPD7054 Approved
0.7168 Intermediate Similarity NPD5844 Phase 1
0.7162 Intermediate Similarity NPD1608 Approved
0.7152 Intermediate Similarity NPD2424 Discontinued
0.7151 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7075 Discontinued
0.7143 Intermediate Similarity NPD4140 Approved
0.7143 Intermediate Similarity NPD6799 Approved
0.7143 Intermediate Similarity NPD1240 Approved
0.7143 Intermediate Similarity NPD1511 Approved
0.7135 Intermediate Similarity NPD3926 Phase 2
0.7135 Intermediate Similarity NPD8434 Phase 2
0.7134 Intermediate Similarity NPD2796 Approved
0.7134 Intermediate Similarity NPD5712 Approved
0.7126 Intermediate Similarity NPD7472 Approved
0.7118 Intermediate Similarity NPD1247 Approved
0.711 Intermediate Similarity NPD3751 Discontinued
0.7108 Intermediate Similarity NPD6801 Discontinued
0.7107 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD919 Approved
0.7097 Intermediate Similarity NPD3657 Discovery
0.7097 Intermediate Similarity NPD230 Phase 1
0.7091 Intermediate Similarity NPD6599 Discontinued
0.7086 Intermediate Similarity NPD4624 Approved
0.7063 Intermediate Similarity NPD1241 Discontinued
0.7055 Intermediate Similarity NPD1512 Approved
0.7051 Intermediate Similarity NPD1607 Approved
0.7048 Intermediate Similarity NPD6386 Approved
0.7048 Intermediate Similarity NPD6385 Approved
0.7047 Intermediate Similarity NPD3972 Approved
0.7045 Intermediate Similarity NPD6765 Approved
0.7045 Intermediate Similarity NPD6764 Approved
0.7044 Intermediate Similarity NPD1549 Phase 2
0.7044 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD228 Approved
0.7041 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD943 Approved
0.7025 Intermediate Similarity NPD2935 Discontinued
0.7024 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD7228 Approved
0.7007 Intermediate Similarity NPD1651 Approved
0.7006 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD7808 Phase 3
0.6994 Remote Similarity NPD2533 Approved
0.6994 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6994 Remote Similarity NPD2532 Approved
0.6994 Remote Similarity NPD2534 Approved
0.6989 Remote Similarity NPD6797 Phase 2
0.6987 Remote Similarity NPD447 Suspended
0.6981 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6981 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6981 Remote Similarity NPD2344 Approved
0.698 Remote Similarity NPD3092 Approved
0.698 Remote Similarity NPD3705 Approved
0.6977 Remote Similarity NPD3787 Discontinued
0.6974 Remote Similarity NPD2798 Approved
0.6959 Remote Similarity NPD2932 Approved
0.6959 Remote Similarity NPD17 Approved
0.6957 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6954 Remote Similarity NPD1283 Approved
0.6949 Remote Similarity NPD7251 Discontinued
0.6943 Remote Similarity NPD6353 Approved
0.6933 Remote Similarity NPD4357 Discontinued
0.6928 Remote Similarity NPD7458 Discontinued
0.6928 Remote Similarity NPD2861 Phase 2
0.6923 Remote Similarity NPD5353 Approved
0.6908 Remote Similarity NPD3094 Phase 2
0.6903 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6903 Remote Similarity NPD6798 Discontinued
0.6894 Remote Similarity NPD2800 Approved
0.6893 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6892 Remote Similarity NPD1357 Approved
0.689 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6889 Remote Similarity NPD6785 Approved
0.6889 Remote Similarity NPD6784 Approved
0.6887 Remote Similarity NPD5327 Phase 3
0.6871 Remote Similarity NPD7236 Approved
0.6859 Remote Similarity NPD6663 Approved
0.6859 Remote Similarity NPD8032 Phase 2
0.6854 Remote Similarity NPD6559 Discontinued
0.6854 Remote Similarity NPD7240 Approved
0.6852 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6849 Remote Similarity NPD7157 Approved
0.6846 Remote Similarity NPD3019 Approved
0.6845 Remote Similarity NPD7411 Suspended
0.6842 Remote Similarity NPD8651 Approved
0.6839 Remote Similarity NPD5242 Approved
0.6839 Remote Similarity NPD7095 Approved
0.6835 Remote Similarity NPD6651 Approved
0.6832 Remote Similarity NPD5958 Discontinued
0.6831 Remote Similarity NPD2684 Approved
0.6826 Remote Similarity NPD3226 Approved
0.6824 Remote Similarity NPD9545 Approved
0.6824 Remote Similarity NPD5402 Approved
0.6818 Remote Similarity NPD7799 Discontinued
0.6818 Remote Similarity NPD5736 Approved
0.6818 Remote Similarity NPD2163 Approved
0.6815 Remote Similarity NPD1613 Approved
0.6815 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4060 Phase 1
0.6813 Remote Similarity NPD6100 Approved
0.6813 Remote Similarity NPD2438 Suspended
0.6813 Remote Similarity NPD6099 Approved
0.681 Remote Similarity NPD2309 Approved
0.6797 Remote Similarity NPD6362 Approved
0.6795 Remote Similarity NPD3764 Approved
0.6793 Remote Similarity NPD7879 Clinical (unspecified phase)
0.679 Remote Similarity NPD4237 Approved
0.679 Remote Similarity NPD4236 Phase 3
0.6789 Remote Similarity NPD7497 Discontinued
0.6788 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6788 Remote Similarity NPD3146 Approved
0.6782 Remote Similarity NPD7315 Approved
0.678 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6778 Remote Similarity NPD3534 Clinical (unspecified phase)
0.677 Remote Similarity NPD2346 Discontinued
0.677 Remote Similarity NPD7266 Discontinued
0.6765 Remote Similarity NPD1465 Phase 2
0.6759 Remote Similarity NPD7843 Approved
0.6758 Remote Similarity NPD8150 Discontinued
0.6755 Remote Similarity NPD1281 Approved
0.6753 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6753 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6753 Remote Similarity NPD6085 Phase 2
0.6752 Remote Similarity NPD6233 Phase 2
0.6752 Remote Similarity NPD4062 Phase 3
0.675 Remote Similarity NPD651 Clinical (unspecified phase)
0.6748 Remote Similarity NPD6331 Phase 2
0.6746 Remote Similarity NPD6873 Phase 2
0.6733 Remote Similarity NPD3095 Discontinued
0.6733 Remote Similarity NPD4626 Approved
0.6724 Remote Similarity NPD6959 Discontinued
0.6711 Remote Similarity NPD3091 Approved
0.6709 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6709 Remote Similarity NPD2979 Phase 3
0.6708 Remote Similarity NPD2161 Phase 2
0.6707 Remote Similarity NPD920 Approved

Structure

External Identifiers

PubChem CID   45487111
ChEMBL   CHEMBL583036
ZINC  

Physicochemical Properties

Molecular Weight:  358.18
ALogP:  -0.0561
MLogP:  3.22
XLogP:  1.978
# Rotatable Bonds:  11
Polar Surface Area:  64.99
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  26

Download Data

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Biological Activities  
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