Natural Product: NPC314025

Natural Product ID:  NPC314025
Common Name:   Coumabiocin E
IUPAC Name:   [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Synonyms:   Coumabiocin E
Molecular Formula:   C31H36N2O12
Standard InCHIKey:  NXIHCVXNQGOJKR-ORVJENOTSA-N
Standard InCHI:  InChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m1/s1
Canonical SMILES:  CO[C@@H]1[C@@H](OC(=N)O)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)N=C(c1ccc(c(c1)CC(C(=C)C)O)O)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
NPO31751 Streptomyces l-4-4 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT447 Organism Streptomyces Streptomyces IZ = 11 mm 20384319

  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 NPC314025 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
0.9816 High Similarity NPC314213
0.9816 High Similarity NPC314656
0.9756 High Similarity NPC315913
0.8509 High Similarity NPC226722
0.8405 Intermediate Similarity NPC471764
0.8405 Intermediate Similarity NPC87950
0.8395 Intermediate Similarity NPC85624
0.8354 Intermediate Similarity NPC169510
0.8293 Intermediate Similarity NPC296377
0.8263 Intermediate Similarity NPC53587
0.8263 Intermediate Similarity NPC176186
0.8263 Intermediate Similarity NPC169404
0.8254 Intermediate Similarity NPC257728
0.8232 Intermediate Similarity NPC107120
0.8232 Intermediate Similarity NPC74320
0.8221 Intermediate Similarity NPC471824
0.8214 Intermediate Similarity NPC150442
0.8201 Intermediate Similarity NPC257266
0.8115 Intermediate Similarity NPC153365
0.8061 Intermediate Similarity NPC469701
0.8037 Intermediate Similarity NPC195357
0.8037 Intermediate Similarity NPC152771
0.8036 Intermediate Similarity NPC100818
0.8025 Intermediate Similarity NPC279573
0.8 Intermediate Similarity NPC225445
0.7988 Intermediate Similarity NPC5253
0.7988 Intermediate Similarity NPC139976
0.7988 Intermediate Similarity NPC84207
0.7988 Intermediate Similarity NPC230718
0.7988 Intermediate Similarity NPC49542
0.7988 Intermediate Similarity NPC128337
0.7975 Intermediate Similarity NPC312881
0.7963 Intermediate Similarity NPC225106
0.7963 Intermediate Similarity NPC212124
0.7963 Intermediate Similarity NPC153818
0.7963 Intermediate Similarity NPC232246
0.7963 Intermediate Similarity NPC294456
0.7963 Intermediate Similarity NPC184861
0.7963 Intermediate Similarity NPC262328
0.7963 Intermediate Similarity NPC87777
0.7963 Intermediate Similarity NPC281014
0.7941 Intermediate Similarity NPC470264
0.7941 Intermediate Similarity NPC476352
0.7941 Intermediate Similarity NPC215060
0.7939 Intermediate Similarity NPC116922
0.7929 Intermediate Similarity NPC107197
0.7929 Intermediate Similarity NPC103116
0.7927 Intermediate Similarity NPC476442
0.7927 Intermediate Similarity NPC215512
0.7927 Intermediate Similarity NPC287286
0.7917 Intermediate Similarity NPC93924
0.7914 Intermediate Similarity NPC151946
0.7914 Intermediate Similarity NPC211110
0.7901 Intermediate Similarity NPC38099
0.7901 Intermediate Similarity NPC166180
0.7901 Intermediate Similarity NPC26954
0.7901 Intermediate Similarity NPC78746
0.7901 Intermediate Similarity NPC103409
0.7901 Intermediate Similarity NPC224543
0.7901 Intermediate Similarity NPC188380
0.7892 Intermediate Similarity NPC177597
0.7888 Intermediate Similarity NPC131950
0.7879 Intermediate Similarity NPC472353
0.787 Intermediate Similarity NPC106138
0.7857 Intermediate Similarity NPC97240
0.7853 Intermediate Similarity NPC155963
0.7853 Intermediate Similarity NPC124149
0.784 Intermediate Similarity NPC472525
0.7836 Intermediate Similarity NPC302610
0.7818 Intermediate Similarity NPC5155
0.7818 Intermediate Similarity NPC210192
0.7811 Intermediate Similarity NPC187398
0.7811 Intermediate Similarity NPC476348
0.7805 Intermediate Similarity NPC278600
0.7805 Intermediate Similarity NPC144512
0.7805 Intermediate Similarity NPC137262
0.7805 Intermediate Similarity NPC37428
0.7805 Intermediate Similarity NPC47040
0.7805 Intermediate Similarity NPC35501
0.7797 Intermediate Similarity NPC183672
0.7797 Intermediate Similarity NPC257566
0.7797 Intermediate Similarity NPC124155
0.7778 Intermediate Similarity NPC213173
0.7778 Intermediate Similarity NPC204353
0.7778 Intermediate Similarity NPC76047
0.7778 Intermediate Similarity NPC50896
0.7778 Intermediate Similarity NPC213197
0.7778 Intermediate Similarity NPC326600
0.7778 Intermediate Similarity NPC180716
0.7778 Intermediate Similarity NPC62366
0.7778 Intermediate Similarity NPC224475
0.7771 Intermediate Similarity NPC145319
0.7751 Intermediate Similarity NPC41844
0.7751 Intermediate Similarity NPC52740
0.7751 Intermediate Similarity NPC476347
0.7746 Intermediate Similarity NPC8712
0.774 Intermediate Similarity NPC131745
0.774 Intermediate Similarity NPC44947
0.7738 Intermediate Similarity NPC475096
0.7733 Intermediate Similarity NPC18249
0.7733 Intermediate Similarity NPC140915
0.7733 Intermediate Similarity NPC187028
0.7733 Intermediate Similarity NPC197741
0.7733 Intermediate Similarity NPC10221
0.7733 Intermediate Similarity NPC305700
0.773 Intermediate Similarity NPC79957
0.7719 Intermediate Similarity NPC205727
0.7719 Intermediate Similarity NPC21184
0.7719 Intermediate Similarity NPC114740
0.7719 Intermediate Similarity NPC120426
0.7719 Intermediate Similarity NPC294522
0.7716 Intermediate Similarity NPC133956
0.7716 Intermediate Similarity NPC167111
0.7716 Intermediate Similarity NPC31849
0.7716 Intermediate Similarity NPC471910
0.7716 Intermediate Similarity NPC207002
0.7716 Intermediate Similarity NPC92805
0.7716 Intermediate Similarity NPC469449
0.7716 Intermediate Similarity NPC318400
0.7716 Intermediate Similarity NPC296624
0.7711 Intermediate Similarity NPC108674
0.7706 Intermediate Similarity NPC220282
0.7706 Intermediate Similarity NPC96294
0.7702 Intermediate Similarity NPC103799
0.7697 Intermediate Similarity NPC66087
0.7697 Intermediate Similarity NPC278419
0.7697 Intermediate Similarity NPC179198
0.7692 Intermediate Similarity NPC199928
0.7692 Intermediate Similarity NPC125755
0.7684 Intermediate Similarity NPC101636
0.7684 Intermediate Similarity NPC47923
0.7683 Intermediate Similarity NPC165482
0.7683 Intermediate Similarity NPC138350
0.7683 Intermediate Similarity NPC262585
0.7683 Intermediate Similarity NPC20829
0.7683 Intermediate Similarity NPC40664
0.7683 Intermediate Similarity NPC3293
0.7683 Intermediate Similarity NPC18189
0.7683 Intermediate Similarity NPC197723
0.7679 Intermediate Similarity NPC469313
0.7679 Intermediate Similarity NPC138227
0.7679 Intermediate Similarity NPC292443
0.7679 Intermediate Similarity NPC76176
0.7679 Intermediate Similarity NPC313414
0.7679 Intermediate Similarity NPC168579
0.7674 Intermediate Similarity NPC259707
0.767 Intermediate Similarity NPC241600
0.767 Intermediate Similarity NPC173726
0.767 Intermediate Similarity NPC478269
0.767 Intermediate Similarity NPC43761
0.767 Intermediate Similarity NPC73511
0.7669 Intermediate Similarity NPC100986
0.7669 Intermediate Similarity NPC195343
0.7669 Intermediate Similarity NPC18804
0.7669 Intermediate Similarity NPC267412
0.7669 Intermediate Similarity NPC260265
0.7669 Intermediate Similarity NPC319859
0.7669 Intermediate Similarity NPC47163
0.7669 Intermediate Similarity NPC287182
0.7669 Intermediate Similarity NPC84894
0.7669 Intermediate Similarity NPC198381
0.7669 Intermediate Similarity NPC166672
0.7669 Intermediate Similarity NPC74655
0.7669 Intermediate Similarity NPC164269
0.7669 Intermediate Similarity NPC127888
0.7665 Intermediate Similarity NPC63628
0.7665 Intermediate Similarity NPC178466
0.7661 Intermediate Similarity NPC30688
0.7661 Intermediate Similarity NPC313334
0.7661 Intermediate Similarity NPC206264
0.7661 Intermediate Similarity NPC176903
0.7661 Intermediate Similarity NPC212670
0.7657 Intermediate Similarity NPC127406
0.7657 Intermediate Similarity NPC284810
0.7654 Intermediate Similarity NPC194277
0.7647 Intermediate Similarity NPC227902
0.7647 Intermediate Similarity NPC15538
0.7647 Intermediate Similarity NPC15577
0.7647 Intermediate Similarity NPC469700
0.7647 Intermediate Similarity NPC473480
0.7647 Intermediate Similarity NPC175275
0.764 Intermediate Similarity NPC298171
0.764 Intermediate Similarity NPC259834
0.764 Intermediate Similarity NPC32463
0.764 Intermediate Similarity NPC190450
0.7636 Intermediate Similarity NPC134260
0.7633 Intermediate Similarity NPC277867
0.7633 Intermediate Similarity NPC161700
0.7633 Intermediate Similarity NPC475719
0.7633 Intermediate Similarity NPC101255
0.7633 Intermediate Similarity NPC43716
0.7633 Intermediate Similarity NPC108994
0.7633 Intermediate Similarity NPC138915
0.7633 Intermediate Similarity NPC106126
0.7633 Intermediate Similarity NPC295696
0.763 Intermediate Similarity NPC59692
0.7627 Intermediate Similarity NPC472320
0.7624 Intermediate Similarity NPC5319
0.7622 Intermediate Similarity NPC472424
0.7622 Intermediate Similarity NPC471625

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314025 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
0.8254 Intermediate Similarity NPD7585 Approved
0.8201 Intermediate Similarity NPD7583 Approved
0.7836 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7584 Approved
0.7661 Intermediate Similarity NPD1653 Approved
0.7624 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7614 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD5124 Phase 1
0.7475 Intermediate Similarity NPD8151 Discontinued
0.7436 Intermediate Similarity NPD6823 Phase 2
0.7416 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD8455 Phase 2
0.7337 Intermediate Similarity NPD7054 Approved
0.7318 Intermediate Similarity NPD7075 Discontinued
0.7313 Intermediate Similarity NPD7783 Phase 2
0.7313 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD6559 Discontinued
0.7297 Intermediate Similarity NPD7472 Approved
0.7297 Intermediate Similarity NPD7074 Phase 3
0.7294 Intermediate Similarity NPD1652 Phase 2
0.7278 Intermediate Similarity NPD7266 Discontinued
0.7273 Intermediate Similarity NPD4380 Phase 2
0.7232 Intermediate Similarity NPD6072 Discontinued
0.7228 Intermediate Similarity NPD7801 Approved
0.7219 Intermediate Similarity NPD7251 Discontinued
0.7212 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD7447 Phase 1
0.7181 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD7808 Phase 3
0.7166 Intermediate Similarity NPD6797 Phase 2
0.7151 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7212 Phase 2
0.7126 Intermediate Similarity NPD1613 Approved
0.7126 Intermediate Similarity NPD7213 Phase 3
0.7126 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD2415 Discontinued
0.7108 Intermediate Similarity NPD1048 Approved
0.7107 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD3818 Discontinued
0.7097 Intermediate Similarity NPD7228 Approved
0.7095 Intermediate Similarity NPD6801 Discontinued
0.7094 Intermediate Similarity NPD7874 Approved
0.7094 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD4908 Phase 1
0.7083 Intermediate Similarity NPD6843 Phase 3
0.7083 Intermediate Similarity NPD6841 Approved
0.7083 Intermediate Similarity NPD6842 Approved
0.7081 Intermediate Similarity NPD1091 Approved
0.7081 Intermediate Similarity NPD422 Phase 1
0.7072 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD2424 Discontinued
0.7 Intermediate Similarity NPD7097 Phase 1
0.7 Intermediate Similarity NPD7549 Discontinued
0.7 Intermediate Similarity NPD4433 Discontinued
0.6989 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6985 Remote Similarity NPD6779 Approved
0.6985 Remote Similarity NPD6777 Approved
0.6985 Remote Similarity NPD6781 Approved
0.6985 Remote Similarity NPD6776 Approved
0.6985 Remote Similarity NPD6782 Approved
0.6985 Remote Similarity NPD6780 Approved
0.6985 Remote Similarity NPD6778 Approved
0.6984 Remote Similarity NPD3823 Discontinued
0.6983 Remote Similarity NPD4675 Approved
0.6983 Remote Similarity NPD4678 Approved
0.6978 Remote Similarity NPD7773 Phase 2
0.6971 Remote Similarity NPD6667 Approved
0.6971 Remote Similarity NPD6666 Approved
0.6968 Remote Similarity NPD5844 Phase 1
0.6965 Remote Similarity NPD7696 Phase 3
0.6965 Remote Similarity NPD7435 Discontinued
0.6965 Remote Similarity NPD7698 Approved
0.6965 Remote Similarity NPD7697 Approved
0.6961 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6746 Phase 2
0.6957 Remote Similarity NPD4666 Phase 3
0.6949 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7411 Suspended
0.6931 Remote Similarity NPD7870 Phase 2
0.6931 Remote Similarity NPD7871 Phase 2
0.6923 Remote Similarity NPD8443 Clinical (unspecified phase)
0.691 Remote Similarity NPD5403 Approved
0.6906 Remote Similarity NPD37 Approved
0.6905 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6902 Remote Similarity NPD5709 Phase 3
0.6902 Remote Similarity NPD6234 Discontinued
0.6897 Remote Similarity NPD6674 Discontinued
0.6895 Remote Similarity NPD7007 Discovery
0.6893 Remote Similarity NPD3536 Discontinued
0.6893 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6888 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6886 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6885 Remote Similarity NPD7768 Phase 2
0.6885 Remote Similarity NPD4967 Phase 2
0.6885 Remote Similarity NPD4966 Approved
0.6885 Remote Similarity NPD4965 Approved
0.6882 Remote Similarity NPD7608 Discontinued
0.6875 Remote Similarity NPD7930 Approved
0.6875 Remote Similarity NPD8313 Approved
0.6875 Remote Similarity NPD8312 Approved
0.6875 Remote Similarity NPD5058 Phase 3
0.6871 Remote Similarity NPD1610 Phase 2
0.6868 Remote Similarity NPD7046 Clinical (unspecified phase)
0.6868 Remote Similarity NPD7819 Suspended
0.6857 Remote Similarity NPD3750 Approved
0.6856 Remote Similarity NPD8150 Discontinued
0.6845 Remote Similarity NPD3027 Phase 3
0.6842 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6833 Remote Similarity NPD4005 Discontinued
0.6832 Remote Similarity NPD1548 Phase 1
0.6831 Remote Similarity NPD5402 Approved
0.6829 Remote Similarity NPD7701 Phase 2
0.6828 Remote Similarity NPD7199 Phase 2
0.6826 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4060 Phase 1
0.6813 Remote Similarity NPD1934 Approved
0.6809 Remote Similarity NPD6166 Phase 2
0.6809 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6809 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6184 Discontinued
0.6798 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6798 Remote Similarity NPD5401 Approved
0.6798 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6796 Remote Similarity NPD6502 Phase 2
0.6776 Remote Similarity NPD7089 Clinical (unspecified phase)
0.6771 Remote Similarity NPD7240 Approved
0.6766 Remote Similarity NPD7565 Approved
0.6765 Remote Similarity NPD8320 Phase 1
0.6765 Remote Similarity NPD8319 Approved
0.6763 Remote Similarity NPD4108 Discontinued
0.6761 Remote Similarity NPD7466 Approved
0.6761 Remote Similarity NPD6398 Clinical (unspecified phase)
0.676 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6758 Remote Similarity NPD3778 Approved
0.6746 Remote Similarity NPD4625 Phase 3
0.6739 Remote Similarity NPD3817 Phase 2
0.6735 Remote Similarity NPD3490 Discontinued
0.6735 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6734 Remote Similarity NPD6534 Approved
0.6734 Remote Similarity NPD6535 Approved
0.6732 Remote Similarity NPD7999 Approved
0.6726 Remote Similarity NPD4993 Discontinued
0.6725 Remote Similarity NPD2203 Discontinued
0.6724 Remote Similarity NPD6032 Approved
0.6721 Remote Similarity NPD7945 Clinical (unspecified phase)
0.672 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6719 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6716 Remote Similarity NPD7700 Phase 2
0.6716 Remote Similarity NPD7699 Phase 2
0.6706 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6704 Remote Similarity NPD3985 Discontinued
0.6704 Remote Similarity NPD4123 Phase 3
0.6687 Remote Similarity NPD3685 Discontinued
0.6686 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6686 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6685 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6685 Remote Similarity NPD4003 Phase 3
0.6685 Remote Similarity NPD5929 Approved
0.6684 Remote Similarity NPD7685 Pre-registration
0.6682 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6682 Remote Similarity NPD8059 Phase 3
0.6682 Remote Similarity NPD8366 Approved
0.6682 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8031 Discontinued
0.6667 Remote Similarity NPD6971 Discontinued
0.6667 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3400 Discontinued
0.6667 Remote Similarity NPD4628 Phase 3
0.6667 Remote Similarity NPD6677 Suspended
0.6667 Remote Similarity NPD6621 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7033 Discontinued
0.665 Remote Similarity NPD1898 Discontinued
0.665 Remote Similarity NPD6312 Discontinued
0.6649 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7493 Clinical (unspecified phase)
0.6648 Remote Similarity NPD6799 Approved
0.6648 Remote Similarity NPD4357 Discontinued
0.6648 Remote Similarity NPD1549 Phase 2
0.6647 Remote Similarity NPD3225 Approved
0.6633 Remote Similarity NPD3819 Phase 2
0.6633 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6629 Remote Similarity NPD2677 Approved
0.6629 Remote Similarity NPD2219 Phase 1
0.6628 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6628 Remote Similarity NPD1558 Phase 1
0.6615 Remote Similarity NPD42 Phase 2
0.6615 Remote Similarity NPD6042 Phase 2
0.661 Remote Similarity NPD7421 Clinical (unspecified phase)
0.661 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6609 Remote Similarity NPD3553 Approved
0.6609 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6609 Remote Similarity NPD4538 Approved
0.6609 Remote Similarity NPD3554 Approved
0.6609 Remote Similarity NPD3555 Approved
0.6609 Remote Similarity NPD4536 Approved
0.6609 Remote Similarity NPD3552 Approved
0.6608 Remote Similarity NPD6798 Discontinued
0.6607 Remote Similarity NPD2797 Approved

Structure

External Identifiers

PubChem CID   54734321
ChEMBL   CHEMBL1097291
ZINC  

Physicochemical Properties

Molecular Weight:  628.23
ALogP:  0.3965
MLogP:  3.33
XLogP:  2.837
# Rotatable Bonds:  21
Polar Surface Area:  220.81
# H-Bond Aceptor:  11
# H-Bond Donor:  7
# Rings:  4
# Heavy Atoms:  45

Download Data

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