General Information of the Compound
| Compound ID |
CP0356252
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| Compound Name |
1-[4-[(6R,7R)-6-methyl-7-(5-methyl-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C30H39N7O2
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| Molecular Weight |
529.689
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1c(C)ccc3[nH]ncc13)nc(OC[C@H]1CCCN1C)nc2N1CCN(CC1)C(=O)C=C
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| InChI |
InChI=1S/C30H39N7O2/c1-5-27(38)36-11-13-37(14-12-36)29-23-15-20(3)22(28-19(2)8-9-25-24(28)17-31-34-25)16-26(23)32-30(33-29)39-18-21-7-6-10-35(21)4/h5,8-9,17,20-22H,1,6-7,10-16,18H2,2-4H3,(H,31,34)/t20-,21-,22-/m1/s1
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| InChIKey |
VEJDAQRIUIGDEJ-YPAWHYETSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound