Natural Product: NPC9373

Natural Product ID:  NPC9373
Common Name:   Nocazine C
IUPAC Name:   (3S,6Z)-3-benzyl-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
Synonyms:   nocazine C
Molecular Formula:   C20H20N2O3
Standard InCHIKey:  LNJXHMVOPQVJDF-XIDKLXSXSA-N
Standard InCHI:  InChI=1S/C20H20N2O3/c1-22-18(13-15-8-10-16(25-2)11-9-15)19(23)21-17(20(22)24)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)/b18-13-/t17-/m0/s1
Canonical SMILES:  COc1ccc(cc1)/C=C1/C(=N[C@H](C(=O)N1C)Cc1ccccc1)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
NPO14429 Nocardiopsis dassonvillei Species Nocardiopsaceae Bacteria isolated from marine sediments The estuary of Yellow River, Dongying, Shandong Province, China PMID[21958359]
NPO14429 Nocardiopsis dassonvillei Species Nocardiopsaceae Bacteria spore PMID[21958359]

  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 >= 100000 nM 21958359
NPT81 Cell Line A549 Homo sapiens IC5 >= 0.1 nM 21958359

  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 NPC9373 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
0.8582 High Similarity NPC29650
0.8521 High Similarity NPC138365
0.8366 Intermediate Similarity NPC319320
0.8366 Intermediate Similarity NPC287757
0.8267 Intermediate Similarity NPC324081
0.8112 Intermediate Similarity NPC257390
0.8088 Intermediate Similarity NPC220698
0.8082 Intermediate Similarity NPC313694
0.8082 Intermediate Similarity NPC242159
0.7987 Intermediate Similarity NPC254700
0.7958 Intermediate Similarity NPC218323
0.7947 Intermediate Similarity NPC16188
0.7914 Intermediate Similarity NPC164608
0.7877 Intermediate Similarity NPC266425
0.7857 Intermediate Similarity NPC233702
0.7831 Intermediate Similarity NPC32064
0.781 Intermediate Similarity NPC258992
0.7716 Intermediate Similarity NPC473502
0.7697 Intermediate Similarity NPC279871
0.7692 Intermediate Similarity NPC202198
0.7687 Intermediate Similarity NPC470392
0.7662 Intermediate Similarity NPC189908
0.7647 Intermediate Similarity NPC138083
0.7647 Intermediate Similarity NPC315542
0.7643 Intermediate Similarity NPC43275
0.764 Intermediate Similarity NPC191863
0.764 Intermediate Similarity NPC133470
0.764 Intermediate Similarity NPC289776
0.7622 Intermediate Similarity NPC196091
0.7619 Intermediate Similarity NPC45191
0.7616 Intermediate Similarity NPC476989
0.7609 Intermediate Similarity NPC303370
0.7602 Intermediate Similarity NPC276120
0.7593 Intermediate Similarity NPC472923
0.7589 Intermediate Similarity NPC263835
0.7566 Intermediate Similarity NPC212850
0.7566 Intermediate Similarity NPC83289
0.7566 Intermediate Similarity NPC189724
0.756 Intermediate Similarity NPC269750
0.756 Intermediate Similarity NPC194671
0.7532 Intermediate Similarity NPC81026
0.753 Intermediate Similarity NPC248670
0.7517 Intermediate Similarity NPC124776
0.75 Intermediate Similarity NPC211218
0.75 Intermediate Similarity NPC245974
0.75 Intermediate Similarity NPC323948
0.7484 Intermediate Similarity NPC247298
0.7483 Intermediate Similarity NPC283079
0.7471 Intermediate Similarity NPC29531
0.7471 Intermediate Similarity NPC174122
0.7471 Intermediate Similarity NPC64140
0.7468 Intermediate Similarity NPC266741
0.7465 Intermediate Similarity NPC41801
0.7455 Intermediate Similarity NPC186617
0.7452 Intermediate Similarity NPC473491
0.7448 Intermediate Similarity NPC62101
0.7448 Intermediate Similarity NPC95733
0.7419 Intermediate Similarity NPC473804
0.7414 Intermediate Similarity NPC234069
0.741 Intermediate Similarity NPC471568
0.741 Intermediate Similarity NPC473693
0.7407 Intermediate Similarity NPC469243
0.74 Intermediate Similarity NPC169766
0.7397 Intermediate Similarity NPC29477
0.7394 Intermediate Similarity NPC256369
0.7391 Intermediate Similarity NPC56635
0.7389 Intermediate Similarity NPC132771
0.7384 Intermediate Similarity NPC471049
0.7384 Intermediate Similarity NPC294951
0.7384 Intermediate Similarity NPC471050
0.7384 Intermediate Similarity NPC471048
0.7381 Intermediate Similarity NPC158277
0.7378 Intermediate Similarity NPC223207
0.7372 Intermediate Similarity NPC119569
0.7365 Intermediate Similarity NPC89831
0.7362 Intermediate Similarity NPC241794
0.7353 Intermediate Similarity NPC475421
0.7333 Intermediate Similarity NPC290755
0.7333 Intermediate Similarity NPC304074
0.7333 Intermediate Similarity NPC471771
0.7333 Intermediate Similarity NPC244866
0.7333 Intermediate Similarity NPC471953
0.7321 Intermediate Similarity NPC137627
0.7321 Intermediate Similarity NPC306804
0.732 Intermediate Similarity NPC193528
0.7319 Intermediate Similarity NPC166837
0.7315 Intermediate Similarity NPC120251
0.7312 Intermediate Similarity NPC39431
0.7305 Intermediate Similarity NPC82963
0.7303 Intermediate Similarity NPC471563
0.7301 Intermediate Similarity NPC475544
0.7297 Intermediate Similarity NPC296712
0.7292 Intermediate Similarity NPC83279
0.7289 Intermediate Similarity NPC294516
0.7289 Intermediate Similarity NPC141957
0.7289 Intermediate Similarity NPC328649
0.7289 Intermediate Similarity NPC107938
0.7278 Intermediate Similarity NPC159767
0.7278 Intermediate Similarity NPC155506
0.7273 Intermediate Similarity NPC63931
0.7273 Intermediate Similarity NPC150712
0.7267 Intermediate Similarity NPC476268
0.7257 Intermediate Similarity NPC329731
0.7254 Intermediate Similarity NPC38458
0.7254 Intermediate Similarity NPC311737
0.725 Intermediate Similarity NPC262166
0.7248 Intermediate Similarity NPC325651
0.7237 Intermediate Similarity NPC473360
0.7232 Intermediate Similarity NPC473407
0.7232 Intermediate Similarity NPC477526
0.7232 Intermediate Similarity NPC473378
0.723 Intermediate Similarity NPC301713
0.7225 Intermediate Similarity NPC470903
0.7225 Intermediate Similarity NPC470112
0.7225 Intermediate Similarity NPC167763
0.7222 Intermediate Similarity NPC321133
0.7222 Intermediate Similarity NPC144314
0.7219 Intermediate Similarity NPC118419
0.7219 Intermediate Similarity NPC274732
0.7213 Intermediate Similarity NPC311357
0.7208 Intermediate Similarity NPC225745
0.7202 Intermediate Similarity NPC40234
0.719 Intermediate Similarity NPC237227
0.7188 Intermediate Similarity NPC153644
0.7182 Intermediate Similarity NPC50548
0.7181 Intermediate Similarity NPC469666
0.7181 Intermediate Similarity NPC251571
0.7176 Intermediate Similarity NPC136797
0.7176 Intermediate Similarity NPC476227
0.7176 Intermediate Similarity NPC26108
0.7175 Intermediate Similarity NPC163961
0.7175 Intermediate Similarity NPC473305
0.7174 Intermediate Similarity NPC473460
0.7167 Intermediate Similarity NPC149962
0.716 Intermediate Similarity NPC473580
0.716 Intermediate Similarity NPC230611
0.7159 Intermediate Similarity NPC4910
0.7153 Intermediate Similarity NPC319950
0.7143 Intermediate Similarity NPC299806
0.7143 Intermediate Similarity NPC5194
0.7143 Intermediate Similarity NPC280022
0.7143 Intermediate Similarity NPC77992
0.7143 Intermediate Similarity NPC261934
0.7143 Intermediate Similarity NPC56685
0.7135 Intermediate Similarity NPC473422
0.7134 Intermediate Similarity NPC244336
0.7133 Intermediate Similarity NPC155838
0.7123 Intermediate Similarity NPC142577
0.7118 Intermediate Similarity NPC273755
0.7114 Intermediate Similarity NPC476353
0.711 Intermediate Similarity NPC39822
0.7101 Intermediate Similarity NPC198254
0.7101 Intermediate Similarity NPC274198
0.7099 Intermediate Similarity NPC478189
0.7097 Intermediate Similarity NPC28641
0.7097 Intermediate Similarity NPC194359
0.7097 Intermediate Similarity NPC471316
0.7095 Intermediate Similarity NPC204970
0.7086 Intermediate Similarity NPC35961
0.7086 Intermediate Similarity NPC52029
0.7086 Intermediate Similarity NPC195749
0.7083 Intermediate Similarity NPC302597
0.7081 Intermediate Similarity NPC470019
0.7078 Intermediate Similarity NPC11147
0.7078 Intermediate Similarity NPC109580
0.7078 Intermediate Similarity NPC180647
0.7076 Intermediate Similarity NPC473402
0.7076 Intermediate Similarity NPC473354
0.7073 Intermediate Similarity NPC212699
0.7073 Intermediate Similarity NPC207675
0.7063 Intermediate Similarity NPC19290
0.7063 Intermediate Similarity NPC254798
0.7059 Intermediate Similarity NPC132308
0.7056 Intermediate Similarity NPC328763
0.7051 Intermediate Similarity NPC231572
0.7049 Intermediate Similarity NPC123859
0.7042 Intermediate Similarity NPC33742
0.7042 Intermediate Similarity NPC118202
0.7041 Intermediate Similarity NPC469505
0.7039 Intermediate Similarity NPC326966
0.7035 Intermediate Similarity NPC196243
0.7035 Intermediate Similarity NPC50016
0.7032 Intermediate Similarity NPC307682
0.7027 Intermediate Similarity NPC307020
0.7024 Intermediate Similarity NPC61004
0.7024 Intermediate Similarity NPC469479
0.7018 Intermediate Similarity NPC475532
0.7017 Intermediate Similarity NPC59827
0.7017 Intermediate Similarity NPC184933
0.7014 Intermediate Similarity NPC470545
0.7012 Intermediate Similarity NPC58661
0.7011 Intermediate Similarity NPC242728
0.7007 Intermediate Similarity NPC474862
0.7007 Intermediate Similarity NPC27581
0.7006 Intermediate Similarity NPC251439
0.7006 Intermediate Similarity NPC470709
0.7 Intermediate Similarity NPC276506
0.6993 Remote Similarity NPC214869
0.6984 Remote Similarity NPC471561
0.6983 Remote Similarity NPC174629

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC9373 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
0.8904 High Similarity NPD7131 Phase 3
0.8881 High Similarity NPD5481 Discontinued
0.8156 Intermediate Similarity NPD4993 Discontinued
0.7911 Intermediate Similarity NPD5967 Approved
0.7738 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD5745 Approved
0.7632 Intermediate Similarity NPD3655 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7608 Discontinued
0.7561 Intermediate Similarity NPD7484 Phase 3
0.7561 Intermediate Similarity NPD7485 Phase 3
0.7551 Intermediate Similarity NPD5746 Approved
0.75 Intermediate Similarity NPD1725 Approved
0.7412 Intermediate Similarity NPD6297 Approved
0.7403 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD7450 Phase 2
0.7378 Intermediate Similarity NPD6533 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD4515 Suspended
0.7355 Intermediate Similarity NPD6860 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7810 Phase 3
0.7333 Intermediate Similarity NPD7811 Phase 3
0.7303 Intermediate Similarity NPD4579 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD7118 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6720 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD8031 Discontinued
0.726 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6853 Approved
0.7241 Intermediate Similarity NPD6851 Approved
0.7235 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD6862 Phase 2
0.7222 Intermediate Similarity NPD2668 Approved
0.7222 Intermediate Similarity NPD2667 Approved
0.7216 Intermediate Similarity NPD6608 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD3281 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD196 Phase 1
0.7202 Intermediate Similarity NPD5183 Approved
0.7202 Intermediate Similarity NPD5186 Approved
0.7195 Intermediate Similarity NPD5294 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD3054 Approved
0.719 Intermediate Similarity NPD3052 Approved
0.7188 Intermediate Similarity NPD7303 Discontinued
0.7188 Intermediate Similarity NPD1975 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD2541 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD7110 Phase 1
0.7152 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7318 Phase 3
0.7152 Intermediate Similarity NPD5718 Phase 2
0.7143 Intermediate Similarity NPD6583 Phase 3
0.7143 Intermediate Similarity NPD5688 Approved
0.7143 Intermediate Similarity NPD6582 Phase 2
0.7143 Intermediate Similarity NPD5689 Approved
0.7118 Intermediate Similarity NPD6894 Phase 1
0.7115 Intermediate Similarity NPD5865 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6884 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD2245 Discovery
0.7091 Intermediate Similarity NPD6668 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6060 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD6390 Discontinued
0.7063 Intermediate Similarity NPD3596 Phase 2
0.7059 Intermediate Similarity NPD2388 Discontinued
0.7059 Intermediate Similarity NPD3140 Approved
0.7059 Intermediate Similarity NPD3142 Approved
0.7052 Intermediate Similarity NPD5484 Approved
0.7052 Intermediate Similarity NPD5485 Approved
0.7051 Intermediate Similarity NPD2239 Approved
0.7051 Intermediate Similarity NPD2240 Approved
0.7044 Intermediate Similarity NPD3692 Discontinued
0.7044 Intermediate Similarity NPD5241 Discontinued
0.7044 Intermediate Similarity NPD2219 Phase 1
0.7037 Intermediate Similarity NPD1670 Discontinued
0.7034 Intermediate Similarity NPD2595 Approved
0.7034 Intermediate Similarity NPD2594 Approved
0.7032 Intermediate Similarity NPD743 Approved
0.7031 Intermediate Similarity NPD8149 Discontinued
0.703 Intermediate Similarity NPD7317 Phase 3
0.7027 Intermediate Similarity NPD1669 Approved
0.7027 Intermediate Similarity NPD4659 Approved
0.7025 Intermediate Similarity NPD6364 Approved
0.7025 Intermediate Similarity NPD2459 Approved
0.7025 Intermediate Similarity NPD2458 Approved
0.7025 Intermediate Similarity NPD44 Approved
0.7025 Intermediate Similarity NPD2460 Phase 3
0.7022 Intermediate Similarity NPD7291 Discontinued
0.7019 Intermediate Similarity NPD2335 Discontinued
0.7018 Intermediate Similarity NPD5078 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4618 Approved
0.7013 Intermediate Similarity NPD4622 Approved
0.7012 Intermediate Similarity NPD6875 Approved
0.7012 Intermediate Similarity NPD6502 Phase 2
0.7012 Intermediate Similarity NPD6876 Approved
0.7012 Intermediate Similarity NPD2592 Discontinued
0.7011 Intermediate Similarity NPD6654 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6584 Phase 3
0.7 Intermediate Similarity NPD3479 Discontinued
0.6989 Remote Similarity NPD7280 Phase 3
0.6989 Remote Similarity NPD7281 Phase 3
0.6986 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6982 Remote Similarity NPD2904 Discontinued
0.6981 Remote Similarity NPD1662 Clinical (unspecified phase)
0.698 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6971 Remote Similarity NPD5192 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6581 Approved
0.6966 Remote Similarity NPD6580 Approved
0.6959 Remote Similarity NPD5108 Clinical (unspecified phase)
0.6946 Remote Similarity NPD3560 Approved
0.6946 Remote Similarity NPD3557 Approved
0.6946 Remote Similarity NPD3558 Approved
0.6946 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6946 Remote Similarity NPD3556 Approved
0.6944 Remote Similarity NPD5994 Discontinued
0.6943 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6943 Remote Similarity NPD1538 Phase 1
0.6943 Remote Similarity NPD4477 Approved
0.6943 Remote Similarity NPD4476 Approved
0.6943 Remote Similarity NPD1519 Approved
0.6943 Remote Similarity NPD1537 Approved
0.6941 Remote Similarity NPD2889 Approved
0.6941 Remote Similarity NPD2888 Approved
0.6941 Remote Similarity NPD2890 Approved
0.6941 Remote Similarity NPD2017 Approved
0.6936 Remote Similarity NPD6645 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4103 Phase 2
0.6928 Remote Similarity NPD5355 Approved
0.6928 Remote Similarity NPD5356 Approved
0.6928 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6927 Remote Similarity NPD4435 Approved
0.6923 Remote Similarity NPD1536 Approved
0.6919 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6919 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6830 Clinical (unspecified phase)
0.6914 Remote Similarity NPD5348 Clinical (unspecified phase)
0.6914 Remote Similarity NPD3536 Discontinued
0.6914 Remote Similarity NPD5556 Clinical (unspecified phase)
0.6913 Remote Similarity NPD1421 Approved
0.6913 Remote Similarity NPD1420 Approved
0.691 Remote Similarity NPD6967 Phase 2
0.6901 Remote Similarity NPD2517 Approved
0.6898 Remote Similarity NPD3802 Phase 3
0.6897 Remote Similarity NPD3965 Phase 1
0.6894 Remote Similarity NPD6666 Approved
0.6894 Remote Similarity NPD6667 Approved
0.689 Remote Similarity NPD5267 Discontinued
0.6889 Remote Similarity NPD5112 Approved
0.6889 Remote Similarity NPD5113 Approved
0.6889 Remote Similarity NPD5114 Approved
0.6887 Remote Similarity NPD2990 Approved
0.6887 Remote Similarity NPD7018 Phase 2
0.6887 Remote Similarity NPD2987 Approved
0.6886 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6883 Remote Similarity NPD7477 Discontinued
0.6882 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6882 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6746 Phase 2
0.6879 Remote Similarity NPD5966 Clinical (unspecified phase)
0.6879 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6872 Remote Similarity NPD4434 Approved
0.6871 Remote Similarity NPD7613 Discontinued
0.6868 Remote Similarity NPD4539 Phase 1
0.6863 Remote Similarity NPD3136 Phase 2
0.6863 Remote Similarity NPD5163 Phase 2
0.686 Remote Similarity NPD8051 Clinical (unspecified phase)
0.6851 Remote Similarity NPD6505 Approved
0.6851 Remote Similarity NPD6504 Approved
0.6849 Remote Similarity NPD2486 Discontinued
0.6848 Remote Similarity NPD6523 Clinical (unspecified phase)
0.6848 Remote Similarity NPD3769 Discontinued
0.6848 Remote Similarity NPD824 Approved
0.6846 Remote Similarity NPD2232 Approved
0.6846 Remote Similarity NPD2230 Approved
0.6846 Remote Similarity NPD2562 Approved
0.6846 Remote Similarity NPD2561 Approved
0.6846 Remote Similarity NPD2233 Approved
0.6845 Remote Similarity NPD6063 Approved
0.6842 Remote Similarity NPD2516 Approved
0.6835 Remote Similarity NPD1523 Approved
0.6835 Remote Similarity NPD1522 Approved
0.6833 Remote Similarity NPD4157 Discontinued
0.6831 Remote Similarity NPD6312 Discontinued
0.6831 Remote Similarity NPD7669 Phase 3
0.6829 Remote Similarity NPD7427 Discontinued
0.6829 Remote Similarity NPD2122 Discontinued
0.6828 Remote Similarity NPD3123 Discovery
0.6826 Remote Similarity NPD8019 Approved
0.6826 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6826 Remote Similarity NPD7248 Discontinued
0.6826 Remote Similarity NPD7577 Discontinued
0.6824 Remote Similarity NPD3421 Phase 3
0.6824 Remote Similarity NPD8245 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3847 Discontinued
0.6818 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1520 Approved
0.6815 Remote Similarity NPD1521 Approved
0.681 Remote Similarity NPD4123 Phase 3
0.681 Remote Similarity NPD2874 Phase 2
0.6803 Remote Similarity NPD6382 Discontinued
0.6802 Remote Similarity NPD6747 Phase 1

Structure

External Identifiers

PubChem CID   56600878
ChEMBL   CHEMBL1835447
ZINC  

Physicochemical Properties

Molecular Weight:  336.15
ALogP:  -0.7396
MLogP:  3.11
XLogP:  5.138
# Rotatable Bonds:  7
Polar Surface Area:  62.13
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  25

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