General Information of the Compound
| Compound ID |
CP0571968
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| Compound Name |
1-[(3S)-4-[(6R,7R)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,8-tetrahydroquinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C30H40F3N7O2
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| Molecular Weight |
587.691
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1nc(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C
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| InChI |
InChI=1S/C30H40F3N7O2/c1-6-25(41)39-10-11-40(19(4)15-39)28-22-12-17(2)21(27-26(30(31,32)33)18(3)13-24(34)36-27)14-23(22)35-29(37-28)42-16-20-8-7-9-38(20)5/h6,13,17,19-21H,1,7-12,14-16H2,2-5H3,(H2,34,36)/t17-,19+,20+,21-/m1/s1
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| InChIKey |
GHZYVXVIHYEWRM-BVOGOJNSSA-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