General Information of the Compound
| Compound ID |
CP0545985
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| Compound Name |
1-[(3S)-4-[(6R,7R)-7-(3-hydroxynaphthalen-1-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 |
C33H41N5O3
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| Molecular Weight |
555.723
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| Canonical SMILES |
C[C@@H]1Cc2c(C[C@H]1c1cc(O)cc3ccccc13)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C
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| InChI |
InChI=1S/C33H41N5O3/c1-5-31(40)37-13-14-38(22(3)19-37)32-29-15-21(2)27(28-17-25(39)16-23-9-6-7-11-26(23)28)18-30(29)34-33(35-32)41-20-24-10-8-12-36(24)4/h5-7,9,11,16-17,21-22,24,27,39H,1,8,10,12-15,18-20H2,2-4H3/t21-,22+,24+,27-/m1/s1
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| InChIKey |
QFHHSQNNGXFEMZ-SMAWTLEESA-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