Natural Product: NPC136112

Natural Product ID:  NPC136112
Common Name:   (2R)-1-(Propan-2-Ylamino)-3-(2-Prop-2-Enylphenoxy)Propan-2-Ol
IUPAC Name:   (2R)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Synonyms:  
Molecular Formula:   C15H23NO2
Standard InCHIKey:  PAZJSJFMUHDSTF-CQSZACIVSA-N
Standard InCHI:  InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m1/s1
Canonical SMILES:  C=CCc1ccccc1OC[C@@H](CNC(C)C)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
NPO28928 Piper nigrum Species Piperaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency = 3162.3 nM PubChem BioAssay data set
NPT210 Individual Protein Thyroid stimulating hormone receptor Homo sapiens Potency = 5011.9 nM PubChem BioAssay data set
NPT95 Individual Protein Muscarinic acetylcholine receptor M1 Rattus norvegicus Potency = 3981.1 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 6309.6 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens Potency = 10000 nM PubChem BioAssay data set
NPT443 Individual Protein Histone acetyltransferase GCN5 Homo sapiens Potency 251.2 nM PubChem BioAssay data set
NPT1139 Individual Protein Arachidonate 15-lipoxygenase, type II Homo sapiens Potency 15848.9 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens AC50 = 6309.57 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 7943.28 nM PubChem BioAssay data set
NPT110 Individual Protein Cytochrome P450 2D6 Homo sapiens AC50 = 10000 nM PubChem BioAssay data set
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens AC50 = 3162.28 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 25929 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 7943.3 nM PubChem BioAssay data set

  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 NPC136112 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 NPC141739
0.9667 High Similarity NPC320242
0.9206 High Similarity NPC97870
0.9206 High Similarity NPC307123
0.9206 High Similarity NPC247018
0.9147 High Similarity NPC318591
0.9147 High Similarity NPC231163
0.8382 Intermediate Similarity NPC204546
0.813 Intermediate Similarity NPC26524
0.8083 Intermediate Similarity NPC194034
0.8 Intermediate Similarity NPC328267
0.7787 Intermediate Similarity NPC186469
0.7724 Intermediate Similarity NPC97811
0.771 Intermediate Similarity NPC211992
0.7686 Intermediate Similarity NPC108875
0.7686 Intermediate Similarity NPC38079
0.7652 Intermediate Similarity NPC298486
0.7623 Intermediate Similarity NPC470393
0.76 Intermediate Similarity NPC46844
0.7578 Intermediate Similarity NPC10286
0.7578 Intermediate Similarity NPC213
0.754 Intermediate Similarity NPC21890
0.7521 Intermediate Similarity NPC51633
0.752 Intermediate Similarity NPC24777
0.7483 Intermediate Similarity NPC160931
0.7483 Intermediate Similarity NPC37205
0.748 Intermediate Similarity NPC115379
0.748 Intermediate Similarity NPC42383
0.7464 Intermediate Similarity NPC329595
0.7464 Intermediate Similarity NPC326599
0.7462 Intermediate Similarity NPC137096
0.7459 Intermediate Similarity NPC192596
0.7417 Intermediate Similarity NPC313918
0.7417 Intermediate Similarity NPC95755
0.741 Intermediate Similarity NPC274732
0.7405 Intermediate Similarity NPC329980
0.7398 Intermediate Similarity NPC304761
0.7398 Intermediate Similarity NPC150254
0.7398 Intermediate Similarity NPC226778
0.7398 Intermediate Similarity NPC147000
0.7385 Intermediate Similarity NPC290470
0.7385 Intermediate Similarity NPC154256
0.7368 Intermediate Similarity NPC473875
0.736 Intermediate Similarity NPC251306
0.7355 Intermediate Similarity NPC100870
0.7333 Intermediate Similarity NPC140359
0.7333 Intermediate Similarity NPC255253
0.7333 Intermediate Similarity NPC13020
0.7328 Intermediate Similarity NPC120075
0.7323 Intermediate Similarity NPC95977
0.7302 Intermediate Similarity NPC146530
0.7293 Intermediate Similarity NPC263835
0.7293 Intermediate Similarity NPC321133
0.7292 Intermediate Similarity NPC83289
0.7292 Intermediate Similarity NPC189724
0.7292 Intermediate Similarity NPC212850
0.729 Intermediate Similarity NPC469479
0.7287 Intermediate Similarity NPC301735
0.7286 Intermediate Similarity NPC208757
0.7285 Intermediate Similarity NPC203424
0.7285 Intermediate Similarity NPC206372
0.7273 Intermediate Similarity NPC283616
0.7266 Intermediate Similarity NPC55300
0.7266 Intermediate Similarity NPC166837
0.7239 Intermediate Similarity NPC475529
0.7237 Intermediate Similarity NPC477564
0.7237 Intermediate Similarity NPC2295
0.7237 Intermediate Similarity NPC233926
0.7236 Intermediate Similarity NPC327226
0.7226 Intermediate Similarity NPC158900
0.7218 Intermediate Similarity NPC256369
0.7209 Intermediate Similarity NPC165646
0.7206 Intermediate Similarity NPC474130
0.7203 Intermediate Similarity NPC318429
0.72 Intermediate Similarity NPC473855
0.72 Intermediate Similarity NPC8302
0.7188 Intermediate Similarity NPC137685
0.7185 Intermediate Similarity NPC226712
0.7174 Intermediate Similarity NPC236347
0.7174 Intermediate Similarity NPC322366
0.7174 Intermediate Similarity NPC323775
0.7163 Intermediate Similarity NPC470392
0.7153 Intermediate Similarity NPC253429
0.7153 Intermediate Similarity NPC62101
0.7153 Intermediate Similarity NPC95733
0.7152 Intermediate Similarity NPC47672
0.7143 Intermediate Similarity NPC326801
0.7143 Intermediate Similarity NPC262641
0.7143 Intermediate Similarity NPC101503
0.7143 Intermediate Similarity NPC5932
0.7134 Intermediate Similarity NPC124433
0.7134 Intermediate Similarity NPC293871
0.7133 Intermediate Similarity NPC264956
0.7132 Intermediate Similarity NPC204535
0.7132 Intermediate Similarity NPC195873
0.7132 Intermediate Similarity NPC46586
0.7132 Intermediate Similarity NPC71090
0.7122 Intermediate Similarity NPC198798
0.7114 Intermediate Similarity NPC245974
0.7111 Intermediate Similarity NPC318357
0.7109 Intermediate Similarity NPC290566
0.7109 Intermediate Similarity NPC474272
0.7109 Intermediate Similarity NPC145638
0.7101 Intermediate Similarity NPC29477
0.7099 Intermediate Similarity NPC235250
0.7099 Intermediate Similarity NPC161696
0.7095 Intermediate Similarity NPC247298
0.7095 Intermediate Similarity NPC294249
0.709 Intermediate Similarity NPC163036
0.7089 Intermediate Similarity NPC469505
0.7087 Intermediate Similarity NPC233320
0.7087 Intermediate Similarity NPC258171
0.708 Intermediate Similarity NPC217277
0.708 Intermediate Similarity NPC211218
0.7073 Intermediate Similarity NPC471576
0.7071 Intermediate Similarity NPC283079
0.7071 Intermediate Similarity NPC471306
0.7071 Intermediate Similarity NPC471321
0.7068 Intermediate Similarity NPC164386
0.7059 Intermediate Similarity NPC290451
0.7059 Intermediate Similarity NPC127389
0.7055 Intermediate Similarity NPC477838
0.7055 Intermediate Similarity NPC477837
0.7042 Intermediate Similarity NPC471953
0.704 Intermediate Similarity NPC305205
0.7037 Intermediate Similarity NPC60589
0.7037 Intermediate Similarity NPC469708
0.7037 Intermediate Similarity NPC232295
0.7034 Intermediate Similarity NPC474673
0.7031 Intermediate Similarity NPC241549
0.7029 Intermediate Similarity NPC109822
0.7029 Intermediate Similarity NPC48990
0.7029 Intermediate Similarity NPC94276
0.7029 Intermediate Similarity NPC114901
0.7029 Intermediate Similarity NPC293701
0.7021 Intermediate Similarity NPC97326
0.7016 Intermediate Similarity NPC214200
0.7016 Intermediate Similarity NPC228400
0.7008 Intermediate Similarity NPC41594
0.7 Intermediate Similarity NPC321956
0.7 Intermediate Similarity NPC291847
0.7 Intermediate Similarity NPC473993
0.7 Intermediate Similarity NPC469386
0.6993 Remote Similarity NPC160692
0.6993 Remote Similarity NPC76213
0.6993 Remote Similarity NPC277669
0.6992 Remote Similarity NPC303611
0.6992 Remote Similarity NPC290515
0.6992 Remote Similarity NPC226096
0.6992 Remote Similarity NPC108606
0.6992 Remote Similarity NPC164514
0.6985 Remote Similarity NPC198734
0.6985 Remote Similarity NPC83279
0.6985 Remote Similarity NPC269242
0.6985 Remote Similarity NPC469412
0.6978 Remote Similarity NPC194519
0.6978 Remote Similarity NPC207179
0.6978 Remote Similarity NPC167571
0.6978 Remote Similarity NPC470510
0.6978 Remote Similarity NPC278552
0.6974 Remote Similarity NPC207824
0.6974 Remote Similarity NPC60538
0.697 Remote Similarity NPC470837
0.6966 Remote Similarity NPC470249
0.6963 Remote Similarity NPC43275
0.6963 Remote Similarity NPC135961
0.6963 Remote Similarity NPC311595
0.6963 Remote Similarity NPC32152
0.6963 Remote Similarity NPC24474
0.696 Remote Similarity NPC84325
0.6957 Remote Similarity NPC307020
0.6953 Remote Similarity NPC227894
0.695 Remote Similarity NPC222572
0.695 Remote Similarity NPC87224
0.6947 Remote Similarity NPC474920
0.6947 Remote Similarity NPC266116
0.694 Remote Similarity NPC323948
0.6934 Remote Similarity NPC470804
0.6929 Remote Similarity NPC58607
0.6929 Remote Similarity NPC227255
0.6929 Remote Similarity NPC178284
0.6929 Remote Similarity NPC191037
0.6928 Remote Similarity NPC469711
0.6923 Remote Similarity NPC88868
0.6923 Remote Similarity NPC103799
0.6923 Remote Similarity NPC231251
0.6923 Remote Similarity NPC25067
0.6923 Remote Similarity NPC118419
0.6918 Remote Similarity NPC14600
0.6918 Remote Similarity NPC312770
0.6918 Remote Similarity NPC204848
0.6918 Remote Similarity NPC193528
0.6918 Remote Similarity NPC160607
0.6918 Remote Similarity NPC41473
0.6917 Remote Similarity NPC101139
0.6917 Remote Similarity NPC303370
0.6917 Remote Similarity NPC71853
0.6917 Remote Similarity NPC301321
0.6912 Remote Similarity NPC471308
0.6912 Remote Similarity NPC193193

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC136112 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 NPD1794 Approved
0.9667 High Similarity NPD1818 Approved
0.9667 High Similarity NPD1819 Approved
0.9667 High Similarity NPD1820 Approved
0.9667 High Similarity NPD1817 Approved
0.936 High Similarity NPD3162 Approved
0.936 High Similarity NPD3163 Approved
0.9355 High Similarity NPD3165 Approved
0.9355 High Similarity NPD3166 Approved
0.9355 High Similarity NPD3164 Approved
0.9355 High Similarity NPD3167 Approved
0.9286 High Similarity NPD3597 Clinical (unspecified phase)
0.9206 High Similarity NPD1423 Approved
0.92 High Similarity NPD3179 Approved
0.92 High Similarity NPD3180 Approved
0.9147 High Similarity NPD2155 Approved
0.9147 High Similarity NPD2154 Approved
0.9147 High Similarity NPD2156 Approved
0.8788 High Similarity NPD2239 Approved
0.8788 High Similarity NPD2240 Approved
0.877 High Similarity NPD1797 Approved
0.877 High Similarity NPD1798 Approved
0.873 High Similarity NPD1770 Clinical (unspecified phase)
0.8682 High Similarity NPD3056 Clinical (unspecified phase)
0.8647 High Similarity NPD3175 Clinical (unspecified phase)
0.8613 High Similarity NPD1774 Approved
0.8603 High Similarity NPD2677 Approved
0.8603 High Similarity NPD5160 Discontinued
0.8548 High Similarity NPD2554 Approved
0.8548 High Similarity NPD2556 Approved
0.8538 High Similarity NPD1336 Approved
0.8456 Intermediate Similarity NPD5062 Approved
0.8456 Intermediate Similarity NPD5061 Approved
0.8421 Intermediate Similarity NPD3052 Approved
0.8421 Intermediate Similarity NPD3054 Approved
0.8361 Intermediate Similarity NPD593 Approved
0.8361 Intermediate Similarity NPD595 Approved
0.8357 Intermediate Similarity NPD2675 Approved
0.8357 Intermediate Similarity NPD2676 Approved
0.8333 Intermediate Similarity NPD3531 Approved
0.8333 Intermediate Similarity NPD3532 Approved
0.8333 Intermediate Similarity NPD3530 Approved
0.8321 Intermediate Similarity NPD4162 Approved
0.832 Intermediate Similarity NPD3049 Approved
0.8286 Intermediate Similarity NPD4661 Approved
0.8286 Intermediate Similarity NPD4662 Approved
0.8279 Intermediate Similarity NPD594 Approved
0.8279 Intermediate Similarity NPD592 Approved
0.8209 Intermediate Similarity NPD1341 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD1416 Approved
0.8182 Intermediate Similarity NPD2651 Approved
0.8182 Intermediate Similarity NPD2649 Approved
0.8168 Intermediate Similarity NPD2250 Discontinued
0.8156 Intermediate Similarity NPD3536 Discontinued
0.8156 Intermediate Similarity NPD3985 Discontinued
0.8116 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.8099 Intermediate Similarity NPD2236 Approved
0.8083 Intermediate Similarity NPD290 Approved
0.8045 Intermediate Similarity NPD6179 Discontinued
0.8045 Intermediate Similarity NPD5163 Phase 2
0.8016 Intermediate Similarity NPD1103 Approved
0.8016 Intermediate Similarity NPD1102 Approved
0.8014 Intermediate Similarity NPD3122 Phase 3
0.8 Intermediate Similarity NPD2428 Approved
0.8 Intermediate Similarity NPD2429 Approved
0.8 Intermediate Similarity NPD2557 Approved
0.7945 Intermediate Similarity NPD6677 Suspended
0.7923 Intermediate Similarity NPD2235 Phase 2
0.7923 Intermediate Similarity NPD2231 Phase 2
0.7902 Intermediate Similarity NPD6419 Discontinued
0.7895 Intermediate Similarity NPD5266 Clinical (unspecified phase)
0.7869 Intermediate Similarity NPD2684 Approved
0.7836 Intermediate Similarity NPD596 Approved
0.7836 Intermediate Similarity NPD600 Approved
0.7795 Intermediate Similarity NPD3596 Phase 2
0.7734 Intermediate Similarity NPD317 Approved
0.7734 Intermediate Similarity NPD16 Approved
0.7734 Intermediate Similarity NPD318 Approved
0.7734 Intermediate Similarity NPD856 Approved
0.7718 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7714 Intermediate Similarity NPD6032 Approved
0.7697 Intermediate Similarity NPD4666 Phase 3
0.7687 Intermediate Similarity NPD558 Phase 2
0.7687 Intermediate Similarity NPD3691 Phase 2
0.7687 Intermediate Similarity NPD3690 Phase 2
0.7676 Intermediate Similarity NPD2460 Phase 3
0.7676 Intermediate Similarity NPD2459 Approved
0.7676 Intermediate Similarity NPD2458 Approved
0.7676 Intermediate Similarity NPD3060 Approved
0.7676 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7664 Intermediate Similarity NPD5745 Approved
0.7652 Intermediate Similarity NPD2562 Approved
0.7652 Intermediate Similarity NPD2561 Approved
0.7651 Intermediate Similarity NPD5722 Discontinued
0.7651 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD2661 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD3152 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD5709 Phase 3
0.7619 Intermediate Similarity NPD7843 Approved
0.7615 Intermediate Similarity NPD3443 Approved
0.7615 Intermediate Similarity NPD3444 Approved
0.7615 Intermediate Similarity NPD3445 Approved
0.7612 Intermediate Similarity NPD1134 Approved
0.7612 Intermediate Similarity NPD1135 Approved
0.7612 Intermediate Similarity NPD1133 Approved
0.7612 Intermediate Similarity NPD1131 Approved
0.7612 Intermediate Similarity NPD1129 Approved
0.7594 Intermediate Similarity NPD6582 Phase 2
0.7594 Intermediate Similarity NPD3685 Discontinued
0.7594 Intermediate Similarity NPD6583 Phase 3
0.7589 Intermediate Similarity NPD1422 Approved
0.7586 Intermediate Similarity NPD6087 Phase 1
0.7552 Intermediate Similarity NPD4236 Phase 3
0.7552 Intermediate Similarity NPD4237 Approved
0.7548 Intermediate Similarity NPD2216 Approved
0.7548 Intermediate Similarity NPD2215 Approved
0.7538 Intermediate Similarity NPD6581 Approved
0.7538 Intermediate Similarity NPD2486 Discontinued
0.7538 Intermediate Similarity NPD316 Approved
0.7538 Intermediate Similarity NPD6580 Approved
0.7536 Intermediate Similarity NPD2245 Discovery
0.7534 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD550 Approved
0.752 Intermediate Similarity NPD551 Approved
0.7518 Intermediate Similarity NPD5746 Approved
0.7516 Intermediate Similarity NPD2163 Approved
0.7516 Intermediate Similarity NPD6315 Phase 2
0.75 Intermediate Similarity NPD3687 Approved
0.75 Intermediate Similarity NPD4581 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD155 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD5373 Approved
0.75 Intermediate Similarity NPD5374 Approved
0.75 Intermediate Similarity NPD3686 Approved
0.7483 Intermediate Similarity NPD52 Approved
0.7483 Intermediate Similarity NPD7526 Approved
0.7483 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD2595 Approved
0.7481 Intermediate Similarity NPD2594 Approved
0.748 Intermediate Similarity NPD821 Approved
0.7464 Intermediate Similarity NPD601 Approved
0.7464 Intermediate Similarity NPD597 Approved
0.7464 Intermediate Similarity NPD598 Approved
0.7464 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD1048 Approved
0.7462 Intermediate Similarity NPD9613 Approved
0.7462 Intermediate Similarity NPD9616 Approved
0.7462 Intermediate Similarity NPD9615 Approved
0.7452 Intermediate Similarity NPD5880 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD2200 Suspended
0.7444 Intermediate Similarity NPD776 Approved
0.7442 Intermediate Similarity NPD7157 Approved
0.7432 Intermediate Similarity NPD5976 Discontinued
0.7426 Intermediate Similarity NPD6584 Phase 3
0.7415 Intermediate Similarity NPD1771 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD2874 Phase 2
0.741 Intermediate Similarity NPD1130 Approved
0.741 Intermediate Similarity NPD1132 Approved
0.741 Intermediate Similarity NPD839 Approved
0.741 Intermediate Similarity NPD840 Approved
0.741 Intermediate Similarity NPD1136 Approved
0.7405 Intermediate Similarity NPD6620 Discovery
0.7398 Intermediate Similarity NPD315 Approved
0.7398 Intermediate Similarity NPD314 Approved
0.7398 Intermediate Similarity NPD311 Approved
0.7398 Intermediate Similarity NPD309 Approved
0.7398 Intermediate Similarity NPD310 Approved
0.7398 Intermediate Similarity NPD10 Approved
0.7389 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7376 Intermediate Similarity NPD2224 Approved
0.7376 Intermediate Similarity NPD2223 Approved
0.7372 Intermediate Similarity NPD455 Discontinued
0.7368 Intermediate Similarity NPD3294 Phase 2
0.7368 Intermediate Similarity NPD2978 Approved
0.7368 Intermediate Similarity NPD2977 Approved
0.7361 Intermediate Similarity NPD1391 Approved
0.7353 Intermediate Similarity NPD4098 Discontinued
0.7351 Intermediate Similarity NPD6072 Discontinued
0.7348 Intermediate Similarity NPD6382 Discontinued
0.7343 Intermediate Similarity NPD3156 Discontinued
0.7333 Intermediate Similarity NPD6543 Approved
0.7333 Intermediate Similarity NPD6542 Approved
0.7333 Intermediate Similarity NPD6540 Phase 3
0.7333 Intermediate Similarity NPD6539 Approved
0.7329 Intermediate Similarity NPD3692 Discontinued
0.7324 Intermediate Similarity NPD5688 Approved
0.7324 Intermediate Similarity NPD5689 Approved
0.7323 Intermediate Similarity NPD2673 Approved
0.7323 Intermediate Similarity NPD2671 Approved
0.7319 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7319 Intermediate Similarity NPD3537 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD1769 Discontinued
0.7299 Intermediate Similarity NPD599 Approved
0.7299 Intermediate Similarity NPD602 Approved
0.7299 Intermediate Similarity NPD2987 Approved
0.7299 Intermediate Similarity NPD7018 Phase 2
0.7299 Intermediate Similarity NPD2990 Approved
0.7297 Intermediate Similarity NPD2504 Approved
0.7297 Intermediate Similarity NPD2505 Approved
0.7293 Intermediate Similarity NPD2667 Approved

Structure

External Identifiers

PubChem CID   203685
ChEMBL   CHEMBL1395661
ZINC  

Physicochemical Properties

Molecular Weight:  249.17
ALogP:  0.0189
MLogP:  2.78
XLogP:  3.272
# Rotatable Bonds:  11
Polar Surface Area:  41.49
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  18

Download Data

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Structure MOL file  
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Biological Activities  
Similar NPs/Drugs