(3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene

C93H99F3N26O5 — CID 157463167

IUPAC(3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene
SMILESC=C1NCCOc2ccc(F)cc2[C@@H](C)Nc2nc3c1cnn3cc2C.C=C1NCCOc2ccccc2C(C)Nc2cnc3[nH]cc1c3n2.C=C1NC[C@H](C)Oc2ccc(F)cc2[C@@H](C)Nc2nc3c1cnn3cc2C.C=C1NC[C@H](C)Oc2cccnc2[C@@H](C)Nc2ccn3ncc1c3n2.C=C1N[C@@H](C)COc2ccc(F)cc2CNc2ccn3ncc1c3n2
InChIInChI=1S/C20H22FN5O.C19H20FN5O.C18H18FN5O.C18H20N6O.C18H19N5O/c1-11-10-26-20-17(9-23-26)13(3)22-8-12(2)27-18-6-5-15(21)7-16(18)14(4)24-19(11)25-20;1-11-10-25-19-16(9-22-25)12(2)21-6-7-26-17-5-4-14(20)8-15(17)13(3)23-18(11)24-19;1-11-10-25-16-4-3-14(19)7-13(16)8-20-17-5-6-24-18(23-17)15(9-21-24)12(2)22-11;1-11-9-20-12(2)14-10-21-24-8-6-16(23-18(14)24)22-13(3)17-15(25-11)5-4-7-19-17;1-11-14-9-20-18-17(14)23-16(10-21-18)22-12(2)13-5-3-4-6-15(13)24-8-7-19-11/h5-7,9-10,12,14,22H,3,8H2,1-2,4H3,(H,24,25);4-5,8-10,13,21H,2,6-7H2,1,3H3,(H,23,24);3-7,9,11,22H,2,8,10H2,1H3,(H,20,23);4-8,10-11,13,20H,2,9H2,1,3H3,(H,22,23);3-6,9-10,12,19H,1,7-8H2,2H3,(H,20,21)(H,22,23)/t12-,14+;13-;11-;11-,13+;/m0100./s1
InChIKeyBUDXQHFQVXJWKE-QKGNLYJBSA-N
MW1717.99 g/mol
LogP15.54
Rot. Bonds

About (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene

(3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene (PubChem CID 157463167) has the molecular formula C93H99F3N26O5 and a molecular weight of 1717.99 g/mol. Its IUPAC name is (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene.

Molecular Properties

Compound Name(3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene
PubChem CID157463167
Molecular FormulaC93H99F3N26O5
Molecular Weight1717.99 g/mol
Exact Mass1716.82
IUPAC Name(3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene
SMILESC=C1NCCOc2ccc(F)cc2[C@@H](C)Nc2nc3c1cnn3cc2C.C=C1NCCOc2ccccc2C(C)Nc2cnc3[nH]cc1c3n2.C=C1NC[C@H](C)Oc2ccc(F)cc2[C@@H](C)Nc2nc3c1cnn3cc2C.C=C1NC[C@H](C)Oc2cccnc2[C@@H](C)Nc2ccn3ncc1c3n2.C=C1N[C@@H](C)COc2ccc(F)cc2CNc2ccn3ncc1c3n2
InChIInChI=1S/C20H22FN5O.C19H20FN5O.C18H18FN5O.C18H20N6O.C18H19N5O/c1-11-10-26-20-17(9-23-26)13(3)22-8-12(2)27-18-6-5-15(21)7-16(18)14(4)24-19(11)25-20;1-11-10-25-19-16(9-22-25)12(2)21-6-7-26-17-5-4-14(20)8-15(17)13(3)23-18(11)24-19;1-11-10-25-16-4-3-14(19)7-13(16)8-20-17-5-6-24-18(23-17)15(9-21-24)12(2)22-11;1-11-9-20-12(2)14-10-21-24-8-6-16(23-18(14)24)22-13(3)17-15(25-11)5-4-7-19-17;1-11-14-9-20-18-17(14)23-16(10-21-18)22-12(2)13-5-3-4-6-15(13)24-8-7-19-11/h5-7,9-10,12,14,22H,3,8H2,1-2,4H3,(H,24,25);4-5,8-10,13,21H,2,6-7H2,1,3H3,(H,23,24);3-7,9,11,22H,2,8,10H2,1H3,(H,20,23);4-8,10-11,13,20H,2,9H2,1,3H3,(H,22,23);3-6,9-10,12,19H,1,7-8H2,2H3,(H,20,21)(H,22,23)/t12-,14+;13-;11-;11-,13+;/m0100./s1
InChIKeyBUDXQHFQVXJWKE-QKGNLYJBSA-N
XLogP15.54
TPSA341.67 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001717.99
LogP ≤ 515.54
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene?
The IUPAC name of (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene (CID 157463167) is (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene.
What is the SMILES notation for (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene?
The canonical SMILES for (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene is C=C1NCCOc2ccc(F)cc2[C@@H](C)Nc2nc3c1cnn3cc2C.C=C1NCCOc2ccccc2C(C)Nc2cnc3[nH]cc1c3n2.C=C1NC[C@H](C)Oc2ccc(F)cc2[C@@H](C)Nc2nc3c1cnn3cc2C.C=C1NC[C@H](C)Oc2cccnc2[C@@H](C)Nc2ccn3ncc1c3n2.C=C1N[C@@H](C)COc2ccc(F)cc2CNc2ccn3ncc1c3n2.
What is the InChIKey of (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene?
The InChIKey is BUDXQHFQVXJWKE-QKGNLYJBSA-N. The full InChI is InChI=1S/C20H22FN5O.C19H20FN5O.C18H18FN5O.C18H20N6O.C18H19N5O/c1-11-10-26-20-17(9-23-26)13(3)22-8-12(2)27-18-6-5-15(21)7-16(18)14(4)24-19(11)25-20;1-11-10-25-19-16(9-22-25)12(2)21-6-7-26-17-5-4-14(20)8-15(17)13(3)23-18(11)24-19;1-11-10-25-16-4-3-14(19)7-13(16)8-20-17-5-6-24-18(23-17)15(9-21-24)12(2)22-11;1-11-9-20-12(2)14-10-21-24-8-6-16(23-18(14)24)22-13(3)17-15(25-11)5-4-7-19-17;1-11-14-9-20-18-17(14)23-16(10-21-18)22-12(2)13-5-3-4-6-15(13)24-8-7-19-11/h5-7,9-10,12,14,22H,3,8H2,1-2,4H3,(H,24,25);4-5,8-10,13,21H,2,6-7H2,1,3H3,(H,23,24);3-7,9,11,22H,2,8,10H2,1H3,(H,20,23);4-8,10-11,13,20H,2,9H2,1,3H3,(H,22,23);3-6,9-10,12,19H,1,7-8H2,2H3,(H,20,21)(H,22,23)/t12-,14+;13-;11-;11-,13+;/m0100./s1.
What are the key properties of (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene?
(3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene has a molecular weight of 1717.99 g/mol, XLogP of 15.54, 0 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,11S)-3,11-dimethyl-14-methylidene-10-oxa-2,5,13,17,18,21-hexazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3,20-dimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(12S)-6-fluoro-12-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-3,11,20-trimethyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;3-methyl-14-methylidene-10-oxa-2,13,17,19,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(20),4,6,8,15,18,21-heptaene is sourced from PubChem (CID 157463167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).